N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide

C13H14N4O — CID 31968520

IUPACN-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide
SMILESO=C(NCc1cccnc1-n1cccn1)C1CC1
InChIInChI=1S/C13H14N4O/c18-13(10-4-5-10)15-9-11-3-1-6-14-12(11)17-8-2-7-16-17/h1-3,6-8,10H,4-5,9H2,(H,15,18)
InChIKeyHXUXBDDSTDYVMX-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.29
Rot. Bonds4

About N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide

N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide (PubChem CID 31968520) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide
PubChem CID31968520
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide
SMILESO=C(NCc1cccnc1-n1cccn1)C1CC1
InChIInChI=1S/C13H14N4O/c18-13(10-4-5-10)15-9-11-3-1-6-14-12(11)17-8-2-7-16-17/h1-3,6-8,10H,4-5,9H2,(H,15,18)
InChIKeyHXUXBDDSTDYVMX-UHFFFAOYSA-N
XLogP1.29
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 120632731
(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120632730
(3R)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95282277
N-[3-[2-oxo-2-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]ethoxy]phenyl]cyclopropanecarboxamide
CID 38430538
5-propan-2-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
CID 52986650
2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 120703672
(4S)-2-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94172494
(2S,3R)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 38431207
(3R)-1-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3,4-dihydroisochromene-3-carboxamide
CID 31926300
2-[4-(aminomethyl)phenyl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 166337815
N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclohexanamine
CID 167824693
3-piperidin-4-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide;hydrochloride
CID 122084280

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide (CID 31968520) is N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide is O=C(NCc1cccnc1-n1cccn1)C1CC1.
What is the InChIKey of N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide?
The InChIKey is HXUXBDDSTDYVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c18-13(10-4-5-10)15-9-11-3-1-6-14-12(11)17-8-2-7-16-17/h1-3,6-8,10H,4-5,9H2,(H,15,18).
What are the key properties of N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide?
N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 31968520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).