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

C9H9N5O — CID 141015271

IUPAC2-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccnn1Cc1ncccn1
InChIInChI=1S/C9H9N5O/c10-9(15)7-2-5-13-14(7)6-8-11-3-1-4-12-8/h1-5H,6H2,(H2,10,15)
InChIKeyNMHRXICTBIKABC-UHFFFAOYSA-N
MW203.21 g/mol
LogP-0.18
Rot. Bonds3

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

2-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 141015271) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is 2-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID141015271
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC Name2-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccnn1Cc1ncccn1
InChIInChI=1S/C9H9N5O/c10-9(15)7-2-5-13-14(7)6-8-11-3-1-4-12-8/h1-5H,6H2,(H2,10,15)
InChIKeyNMHRXICTBIKABC-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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Frequently Asked Questions

What is the IUPAC name of 2-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 2-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide (CID 141015271) is 2-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide is NC(=O)c1ccnn1Cc1ncccn1.
What is the InChIKey of 2-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is NMHRXICTBIKABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c10-9(15)7-2-5-13-14(7)6-8-11-3-1-4-12-8/h1-5H,6H2,(H2,10,15).
What are the key properties of 2-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide?
2-(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 2-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 141015271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).