1-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide

C9H9N5O — CID 141015259

IUPAC1-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(Cc2ncccn2)n1
InChIInChI=1S/C9H9N5O/c10-9(15)7-2-5-14(13-7)6-8-11-3-1-4-12-8/h1-5H,6H2,(H2,10,15)
InChIKeyUPVCLNCHWXQHNI-UHFFFAOYSA-N
MW203.21 g/mol
LogP-0.18
Rot. Bonds3

About 1-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide

1-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 141015259) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is 1-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID141015259
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC Name1-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(Cc2ncccn2)n1
InChIInChI=1S/C9H9N5O/c10-9(15)7-2-5-14(13-7)6-8-11-3-1-4-12-8/h1-5H,6H2,(H2,10,15)
InChIKeyUPVCLNCHWXQHNI-UHFFFAOYSA-N
XLogP-0.18
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(quinolin-8-ylmethyl)pyrazole-3-carboxamide
CID 71259684
1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 102533990
1-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 105352263
5-[(3-carbamoylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 64779752
1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4774030
1-[(5-acetylthiophen-3-yl)methyl]pyrazole-3-carboxamide
CID 70864567
1-(cyclohexylmethyl)pyrazole-3-carboxamide
CID 173124048
2-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide
CID 141015271
1-[2-(3-carbamoylpyrazol-1-yl)ethyl]triazole-4-carboxylic acid
CID 64779731
1-(4-hydrazinyl-4-oxobutyl)pyrazole-3-carboxamide
CID 64777594
1-[3-(azetidin-1-yl)propyl]pyrazole-3-carboxamide
CID 22574275
4-(3-carbamoylpyrazol-1-yl)-3-methylbut-2-enoic acid
CID 77042529

Frequently Asked Questions

What is the IUPAC name of 1-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide (CID 141015259) is 1-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide is NC(=O)c1ccn(Cc2ncccn2)n1.
What is the InChIKey of 1-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is UPVCLNCHWXQHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c10-9(15)7-2-5-14(13-7)6-8-11-3-1-4-12-8/h1-5H,6H2,(H2,10,15).
What are the key properties of 1-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide?
1-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 203.21 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 141015259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).