2-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide

C21H22N4O2 — CID 91904899

IUPAC2-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
SMILESCOc1ccccc1C(=O)NC1CCN(c2cc(-c3ccccc3)[nH]n2)C1
InChIInChI=1S/C21H22N4O2/c1-27-19-10-6-5-9-17(19)21(26)22-16-11-12-25(14-16)20-13-18(23-24-20)15-7-3-2-4-8-15/h2-10,13,16H,11-12,14H2,1H3,(H,22,26)(H,23,24)
InChIKeyASFHUIMNJFVTSN-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.09
Rot. Bonds5

About 2-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide

2-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide (PubChem CID 91904899) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
PubChem CID91904899
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
SMILESCOc1ccccc1C(=O)NC1CCN(c2cc(-c3ccccc3)[nH]n2)C1
InChIInChI=1S/C21H22N4O2/c1-27-19-10-6-5-9-17(19)21(26)22-16-11-12-25(14-16)20-13-18(23-24-20)15-7-3-2-4-8-15/h2-10,13,16H,11-12,14H2,1H3,(H,22,26)(H,23,24)
InChIKeyASFHUIMNJFVTSN-UHFFFAOYSA-N
XLogP3.09
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-{5-acetyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl}-4-methoxybenzamide
CID 23645981
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methoxybenzamide
CID 5330984
(2S)-19-[(3S)-3-aminopyrrolidin-1-yl]-2-ethyl-3,7,16-trimethyl-11-oxa-3,16,20,22,23-pentazatetracyclo[19.2.1.05,10.017,22]tetracosa-1(23),5(10),6,8,17,19,21(24)-heptaen-4-one
CID 156020277
Benzamide, 4-methoxy-N-(3-phenyl-1H-pyrazol-5-yl)-
CID 819077
2-[2-(4-Methoxyphenyl)-2-oxoethyl]-4-(5-methyl-1H-pyrazol-3-ylamino)-2H-phthalazin-1-one
CID 11501979
2-(4-Methoxyphenyl)-4-(5-methyl-1H-pyrazol-3-ylamino)-2Hphthalazin-1-one
CID 11537541
2-(3-Methoxybenzyl)-4-(5-methyl-1H-pyrazol-3-ylamino)-2Hphthalazin-1-one
CID 11617466
2-(4-Methoxybenzyl)-4-(5-methyl-1H-pyrazol-3-ylamino)-2H-phthalazin-1-one
CID 11639104
2-[2-(3-Methoxyphenyl)-2-oxoethyl]-4-(5-methyl-1H-pyrazol-3-ylamino)-2H-phthalazin-1-one
CID 21106464
phenyl N-[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]carbamate
CID 70654499
(2S)-24-(azetidin-1-yl)-11-fluoro-21-methyl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaen-8-one
CID 154969946
(2S)-21-[(3S)-3-aminopyrrolidin-1-yl]-2-ethyl-3,7,18-trimethyl-11-oxa-3,18,22,24,25-pentazatetracyclo[21.2.1.05,10.019,24]hexacosa-1(25),5(10),6,8,19,21,23(26)-heptaen-4-one
CID 154970330

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 2-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide (CID 91904899) is 2-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide is COc1ccccc1C(=O)NC1CCN(c2cc(-c3ccccc3)[nH]n2)C1.
What is the InChIKey of 2-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide?
The InChIKey is ASFHUIMNJFVTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-27-19-10-6-5-9-17(19)21(26)22-16-11-12-25(14-16)20-13-18(23-24-20)15-7-3-2-4-8-15/h2-10,13,16H,11-12,14H2,1H3,(H,22,26)(H,23,24).
What are the key properties of 2-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide?
2-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide has a molecular weight of 362.43 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 91904899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).