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

C14H15BrN6O — CID 19441121

IUPAC3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nn(C)cc1CN(C)C(=O)c1nn2cccnc2c1Br
InChIInChI=1S/C14H15BrN6O/c1-9-10(8-20(3)17-9)7-19(2)14(22)12-11(15)13-16-5-4-6-21(13)18-12/h4-6,8H,7H2,1-3H3
InChIKeyHRESAXRLQFQTPF-UHFFFAOYSA-N
MW363.22 g/mol
LogP1.81
Rot. Bonds3

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

3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19441121) has the molecular formula C14H15BrN6O and a molecular weight of 363.22 g/mol. Its IUPAC name is 3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19441121
Molecular FormulaC14H15BrN6O
Molecular Weight363.22 g/mol
Exact Mass362.05
IUPAC Name3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nn(C)cc1CN(C)C(=O)c1nn2cccnc2c1Br
InChIInChI=1S/C14H15BrN6O/c1-9-10(8-20(3)17-9)7-19(2)14(22)12-11(15)13-16-5-4-6-21(13)18-12/h4-6,8H,7H2,1-3H3
InChIKeyHRESAXRLQFQTPF-UHFFFAOYSA-N
XLogP1.81
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462110
3-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462092
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-propylpyrazole-3-carboxamide
CID 35533409
3-bromo-N-octadecylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462073
(3-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19441682
3-bromo-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462168
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488212
1-[(4-bromo-2-chlorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278705
2-[(4-chlorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19478737
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-(3-methyl-4-pyridinyl)benzamide
CID 119065620
3-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462053
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441333

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19441121) is 3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1nn(C)cc1CN(C)C(=O)c1nn2cccnc2c1Br.
What is the InChIKey of 3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HRESAXRLQFQTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN6O/c1-9-10(8-20(3)17-9)7-19(2)14(22)12-11(15)13-16-5-4-6-21(13)18-12/h4-6,8H,7H2,1-3H3.
What are the key properties of 3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 363.22 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19441121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).