5-amino-1-[(3R)-1-butanoylpyrrolidin-3-yl]-3-(4-phenoxycyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide

C24H29N5O3 — CID 153157446

IUPAC5-amino-1-[(3R)-1-butanoylpyrrolidin-3-yl]-3-(4-phenoxycyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide
SMILESCCCC(=O)N1CC[C@@H](n2nc(C3=CC=C(Oc4ccccc4)CC3)c(C(N)=O)c2N)C1
InChIInChI=1S/C24H29N5O3/c1-2-6-20(30)28-14-13-17(15-28)29-23(25)21(24(26)31)22(27-29)16-9-11-19(12-10-16)32-18-7-4-3-5-8-18/h3-5,7-9,11,17H,2,6,10,12-15,25H2,1H3,(H2,26,31)/t17-/m1/s1
InChIKeyWBRKLEMSBYCLTJ-QGZVFWFLSA-N
MW435.53 g/mol
LogP3.28
Rot. Bonds7

About 5-amino-1-[(3R)-1-butanoylpyrrolidin-3-yl]-3-(4-phenoxycyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide

5-amino-1-[(3R)-1-butanoylpyrrolidin-3-yl]-3-(4-phenoxycyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide (PubChem CID 153157446) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 5-amino-1-[(3R)-1-butanoylpyrrolidin-3-yl]-3-(4-phenoxycyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[(3R)-1-butanoylpyrrolidin-3-yl]-3-(4-phenoxycyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide
PubChem CID153157446
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name5-amino-1-[(3R)-1-butanoylpyrrolidin-3-yl]-3-(4-phenoxycyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide
SMILESCCCC(=O)N1CC[C@@H](n2nc(C3=CC=C(Oc4ccccc4)CC3)c(C(N)=O)c2N)C1
InChIInChI=1S/C24H29N5O3/c1-2-6-20(30)28-14-13-17(15-28)29-23(25)21(24(26)31)22(27-29)16-9-11-19(12-10-16)32-18-7-4-3-5-8-18/h3-5,7-9,11,17H,2,6,10,12-15,25H2,1H3,(H2,26,31)/t17-/m1/s1
InChIKeyWBRKLEMSBYCLTJ-QGZVFWFLSA-N
XLogP3.28
TPSA116.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-[(3R)-1-[(Z)-4,4-dihydroxybut-2-enoyl]pyrrolidin-3-yl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide
CID 129157921
6-amino-2-(4-phenoxycyclohexa-1,3-dien-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 163946949
5-amino-1-[1-[(Z)-3-isocyanoprop-2-enyl]piperidin-3-yl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide
CID 123242450
5-amino-1-[1-(cyanomethyl)piperidin-4-yl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide
CID 90136332
5-amino-1-(1-ethenylsulfonylpyrrolidin-3-yl)-3-(4-phenoxyphenyl)pyrazole-4-carboxamide
CID 129137329
5-amino-1-[(4S)-1-but-2-ynoylazocan-4-yl]-3-(6-phenoxy-3-pyridinyl)pyrazole-4-carboxamide
CID 138549596
1-[3-[4-amino-3-[4-(3-phenylmethoxyphenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butan-1-one
CID 123453360
(E)-1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]pent-3-en-1-one
CID 78319034
5-amino-N-methyl-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)pyrazole-4-carboxamide
CID 75202756
5-amino-3-[4-(2-methyl-5-nitrophenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)pyrazole-4-carboxamide
CID 118451826
5-amino-1-(1-but-2-ynoylpyrrolidin-3-yl)-3-(4-cyclohexyloxyphenyl)pyrazole-4-carboxamide
CID 163208541
5-amino-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-(1-but-2-ynoylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-4-yl)pyrazole-4-carboxamide
CID 161201505

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(3R)-1-butanoylpyrrolidin-3-yl]-3-(4-phenoxycyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-[(3R)-1-butanoylpyrrolidin-3-yl]-3-(4-phenoxycyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide (CID 153157446) is 5-amino-1-[(3R)-1-butanoylpyrrolidin-3-yl]-3-(4-phenoxycyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[(3R)-1-butanoylpyrrolidin-3-yl]-3-(4-phenoxycyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[(3R)-1-butanoylpyrrolidin-3-yl]-3-(4-phenoxycyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide is CCCC(=O)N1CC[C@@H](n2nc(C3=CC=C(Oc4ccccc4)CC3)c(C(N)=O)c2N)C1.
What is the InChIKey of 5-amino-1-[(3R)-1-butanoylpyrrolidin-3-yl]-3-(4-phenoxycyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide?
The InChIKey is WBRKLEMSBYCLTJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-2-6-20(30)28-14-13-17(15-28)29-23(25)21(24(26)31)22(27-29)16-9-11-19(12-10-16)32-18-7-4-3-5-8-18/h3-5,7-9,11,17H,2,6,10,12-15,25H2,1H3,(H2,26,31)/t17-/m1/s1.
What are the key properties of 5-amino-1-[(3R)-1-butanoylpyrrolidin-3-yl]-3-(4-phenoxycyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide?
5-amino-1-[(3R)-1-butanoylpyrrolidin-3-yl]-3-(4-phenoxycyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(3R)-1-butanoylpyrrolidin-3-yl]-3-(4-phenoxycyclohexa-1,3-dien-1-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 153157446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).