N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C21H17Cl2N9O — CID 19466657

IUPACN-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1c(-c2ccnc3cc(C(=O)Nc4ncn(Cc5ccc(Cl)cc5Cl)n4)nn23)cnn1C
InChIInChI=1S/C21H17Cl2N9O/c1-12-15(9-26-30(12)2)18-5-6-24-19-8-17(28-32(18)19)20(33)27-21-25-11-31(29-21)10-13-3-4-14(22)7-16(13)23/h3-9,11H,10H2,1-2H3,(H,27,29,33)
InChIKeyFUKUOEIGZAVTTD-UHFFFAOYSA-N
MW482.34 g/mol
LogP3.64
Rot. Bonds5

About N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19466657) has the molecular formula C21H17Cl2N9O and a molecular weight of 482.34 g/mol. Its IUPAC name is N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19466657
Molecular FormulaC21H17Cl2N9O
Molecular Weight482.34 g/mol
Exact Mass481.09
IUPAC NameN-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1c(-c2ccnc3cc(C(=O)Nc4ncn(Cc5ccc(Cl)cc5Cl)n4)nn23)cnn1C
InChIInChI=1S/C21H17Cl2N9O/c1-12-15(9-26-30(12)2)18-5-6-24-19-8-17(28-32(18)19)20(33)27-21-25-11-31(29-21)10-13-3-4-14(22)7-16(13)23/h3-9,11H,10H2,1-2H3,(H,27,29,33)
InChIKeyFUKUOEIGZAVTTD-UHFFFAOYSA-N
XLogP3.64
TPSA107.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 19475940
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466638
N-butan-2-yl-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466570
7-(1,5-dimethylpyrazol-4-yl)-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468297
7-(1,5-dimethylpyrazol-4-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466631
7-(1,5-dimethylpyrazol-4-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466483
2-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19517882
7-(1,5-dimethylpyrazol-4-yl)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468304
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 19441764
N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513082
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19537970
N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19514005

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19466657) is N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1c(-c2ccnc3cc(C(=O)Nc4ncn(Cc5ccc(Cl)cc5Cl)n4)nn23)cnn1C.
What is the InChIKey of N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is FUKUOEIGZAVTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N9O/c1-12-15(9-26-30(12)2)18-5-6-24-19-8-17(28-32(18)19)20(33)27-21-25-11-31(29-21)10-13-3-4-14(22)7-16(13)23/h3-9,11H,10H2,1-2H3,(H,27,29,33).
What are the key properties of N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 482.34 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19466657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).