1-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide

C18H25N5O — CID 166207360

IUPAC1-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NCC(c2cccnc2)N2CCCC2)cn1
InChIInChI=1S/C18H25N5O/c1-2-8-23-14-16(12-21-23)18(24)20-13-17(22-9-3-4-10-22)15-6-5-7-19-11-15/h5-7,11-12,14,17H,2-4,8-10,13H2,1H3,(H,20,24)
InChIKeyBPPXTLSQUHNGFN-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.26
Rot. Bonds7

About 1-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide

1-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide (PubChem CID 166207360) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
PubChem CID166207360
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NCC(c2cccnc2)N2CCCC2)cn1
InChIInChI=1S/C18H25N5O/c1-2-8-23-14-16(12-21-23)18(24)20-13-17(22-9-3-4-10-22)15-6-5-7-19-11-15/h5-7,11-12,14,17H,2-4,8-10,13H2,1H3,(H,20,24)
InChIKeyBPPXTLSQUHNGFN-UHFFFAOYSA-N
XLogP2.26
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxypropyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 166246499
1-(cyclopropylmethyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 166248647
1-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-3-(2-propylpyrazol-3-yl)urea
CID 125169528
N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 97187717
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 84506470
N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 97145393
N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-2-propyl-1,3-thiazole-4-carboxamide
CID 72916413
5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid
CID 74242695
2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)furan-3-carboxamide
CID 131907416
5-N-(2-methylpropyl)-4-oxo-3-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 45206058
1-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)pyrrolo[2,3-b]pyridine-6-carboxamide
CID 162626540
2-ethyl-4-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide
CID 74246411

Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide (CID 166207360) is 1-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide is CCCn1cc(C(=O)NCC(c2cccnc2)N2CCCC2)cn1.
What is the InChIKey of 1-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
The InChIKey is BPPXTLSQUHNGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-2-8-23-14-16(12-21-23)18(24)20-13-17(22-9-3-4-10-22)15-6-5-7-19-11-15/h5-7,11-12,14,17H,2-4,8-10,13H2,1H3,(H,20,24).
What are the key properties of 1-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
1-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 166207360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).