N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C16H20N6O — CID 19441335

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1nc(C)c(CN(C)C(=O)c2cc3ncccn3n2)c1C
InChIInChI=1S/C16H20N6O/c1-5-21-12(3)13(11(2)18-21)10-20(4)16(23)14-9-15-17-7-6-8-22(15)19-14/h6-9H,5,10H2,1-4H3
InChIKeySGYGZSOEVGOFAI-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.83
Rot. Bonds4

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19441335) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19441335
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1nc(C)c(CN(C)C(=O)c2cc3ncccn3n2)c1C
InChIInChI=1S/C16H20N6O/c1-5-21-12(3)13(11(2)18-21)10-20(4)16(23)14-9-15-17-7-6-8-22(15)19-14/h6-9H,5,10H2,1-4H3
InChIKeySGYGZSOEVGOFAI-UHFFFAOYSA-N
XLogP1.83
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 19575675
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441333
4-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylbenzamide
CID 19454035
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxy-N-methylbenzamide
CID 19454037
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzamide
CID 19454034
1-[(3-chlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278841
1-[(2,4-difluorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19279011
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-nitrobenzamide
CID 19454073
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-3-phenoxybenzamide
CID 35285924
4-chloro-1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19575158
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-3-(4-methylpyrazol-1-yl)propanamide
CID 19558308
1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-nitropyrazole-5-carboxamide
CID 19575550

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19441335) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1nc(C)c(CN(C)C(=O)c2cc3ncccn3n2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is SGYGZSOEVGOFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-5-21-12(3)13(11(2)18-21)10-20(4)16(23)14-9-15-17-7-6-8-22(15)19-14/h6-9H,5,10H2,1-4H3.
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 312.38 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19441335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).