5-cyclopropyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide

C18H23N5O — CID 139003597

IUPAC5-cyclopropyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(CNC(=O)c2cc(C3CC3)[nH]n2)cc(N2CCCC2)n1
InChIInChI=1S/C18H23N5O/c1-12-8-13(9-17(20-12)23-6-2-3-7-23)11-19-18(24)16-10-15(21-22-16)14-4-5-14/h8-10,14H,2-7,11H2,1H3,(H,19,24)(H,21,22)
InChIKeyWQORHZPUKQVPBW-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.52
Rot. Bonds5

About 5-cyclopropyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 139003597) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID139003597
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name5-cyclopropyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(CNC(=O)c2cc(C3CC3)[nH]n2)cc(N2CCCC2)n1
InChIInChI=1S/C18H23N5O/c1-12-8-13(9-17(20-12)23-6-2-3-7-23)11-19-18(24)16-10-15(21-22-16)14-4-5-14/h8-10,14H,2-7,11H2,1H3,(H,19,24)(H,21,22)
InChIKeyWQORHZPUKQVPBW-UHFFFAOYSA-N
XLogP2.52
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide (CID 139003597) is 5-cyclopropyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide is Cc1cc(CNC(=O)c2cc(C3CC3)[nH]n2)cc(N2CCCC2)n1.
What is the InChIKey of 5-cyclopropyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is WQORHZPUKQVPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-12-8-13(9-17(20-12)23-6-2-3-7-23)11-19-18(24)16-10-15(21-22-16)14-4-5-14/h8-10,14H,2-7,11H2,1H3,(H,19,24)(H,21,22).
What are the key properties of 5-cyclopropyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 139003597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).