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

C19H27N5O2 — CID 166246499

IUPAC1-(3-methoxypropyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
SMILESCOCCCn1cc(C(=O)NCC(c2cccnc2)N2CCCC2)cn1
InChIInChI=1S/C19H27N5O2/c1-26-11-5-10-24-15-17(13-22-24)19(25)21-14-18(23-8-2-3-9-23)16-6-4-7-20-12-16/h4,6-7,12-13,15,18H,2-3,5,8-11,14H2,1H3,(H,21,25)
InChIKeyCUUSFYRIKIEXLE-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.88
Rot. Bonds9

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

1-(3-methoxypropyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide (PubChem CID 166246499) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-methoxypropyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
PubChem CID166246499
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name1-(3-methoxypropyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
SMILESCOCCCn1cc(C(=O)NCC(c2cccnc2)N2CCCC2)cn1
InChIInChI=1S/C19H27N5O2/c1-26-11-5-10-24-15-17(13-22-24)19(25)21-14-18(23-8-2-3-9-23)16-6-4-7-20-12-16/h4,6-7,12-13,15,18H,2-3,5,8-11,14H2,1H3,(H,21,25)
InChIKeyCUUSFYRIKIEXLE-UHFFFAOYSA-N
XLogP1.88
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 166207360
1-(cyclopropylmethyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 166248647
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-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-methoxybenzamide
CID 92680834
5-methoxy-2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 146042975
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
N'-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide
CID 166227053
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-methoxypropyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide (CID 166246499) is 1-(3-methoxypropyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-methoxypropyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-methoxypropyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide is COCCCn1cc(C(=O)NCC(c2cccnc2)N2CCCC2)cn1.
What is the InChIKey of 1-(3-methoxypropyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
The InChIKey is CUUSFYRIKIEXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-26-11-5-10-24-15-17(13-22-24)19(25)21-14-18(23-8-2-3-9-23)16-6-4-7-20-12-16/h4,6-7,12-13,15,18H,2-3,5,8-11,14H2,1H3,(H,21,25).
What are the key properties of 1-(3-methoxypropyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
1-(3-methoxypropyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 1.88, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 166246499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).