2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide

C20H26N4O3 — CID 121279671

IUPAC2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1
InChIInChI=1S/C20H26N4O3/c1-4-27-18-8-6-5-7-15(18)19(25)21-14-9-10-24(12-14)20(26)17-11-16(13(2)3)22-23-17/h5-8,11,13-14H,4,9-10,12H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyKADNLRBXQRDTTQ-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.58
Rot. Bonds6

About 2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide

2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide (PubChem CID 121279671) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
PubChem CID121279671
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1
InChIInChI=1S/C20H26N4O3/c1-4-27-18-8-6-5-7-15(18)19(25)21-14-9-10-24(12-14)20(26)17-11-16(13(2)3)22-23-17/h5-8,11,13-14H,4,9-10,12H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyKADNLRBXQRDTTQ-UHFFFAOYSA-N
XLogP2.58
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-pyrazole-3-carboxamide
CID 118557110
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-2-methoxybenzamide
CID 658803
(2,4-Dihydrochromeno[4,3-c]pyrazol-3-yl)(pyrrolidin-1-yl)methanone
CID 16654607
N-methyl-2-[4-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]phenoxy]benzamide
CID 117673406
N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-5-pentyl-1H-pyrazole-3-carboxamide
CID 118557254
3-(4-methoxyphenyl)-N-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide
CID 127027678
N-(3-methoxybenzyl)-5-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 16022629
5-(2-hydroxyphenyl)-N-(4-methoxybenzyl)-1H-pyrazole-3-carboxamide
CID 666046
3-(4-ethoxyphenyl)-N-[(1-methyl-4-piperidinylidene)amino]-1H-pyrazole-5-carboxamide
CID 4593003
4-(4-ethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
CID 5309050
3-{1-[(3-cyclopropyl-1H-pyrazol-5-yl)carbonyl]piperidin-3-yl}-N-(3-methoxybenzyl)propanamide
CID 16190988
(3-isopropoxyphenyl)(1-{[3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}-3-piperidinyl)methanone
CID 24790464

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide (CID 121279671) is 2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide is CCOc1ccccc1C(=O)NC1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1.
What is the InChIKey of 2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
The InChIKey is KADNLRBXQRDTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-4-27-18-8-6-5-7-15(18)19(25)21-14-9-10-24(12-14)20(26)17-11-16(13(2)3)22-23-17/h5-8,11,13-14H,4,9-10,12H2,1-3H3,(H,21,25)(H,22,23).
What are the key properties of 2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide has a molecular weight of 370.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 121279671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).