5-amino-3-propan-2-yl-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]pyrazole-4-carboxamide

C17H19N5O2S — CID 167763328

IUPAC5-amino-3-propan-2-yl-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]pyrazole-4-carboxamide
SMILESCC(C)c1nn(C(=O)c2cccn2Cc2cccs2)c(N)c1C(N)=O
InChIInChI=1S/C17H19N5O2S/c1-10(2)14-13(16(19)23)15(18)22(20-14)17(24)12-6-3-7-21(12)9-11-5-4-8-25-11/h3-8,10H,9,18H2,1-2H3,(H2,19,23)
InChIKeyNCPDHIWWYNNARX-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.29
Rot. Bonds5

About 5-amino-3-propan-2-yl-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]pyrazole-4-carboxamide

5-amino-3-propan-2-yl-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]pyrazole-4-carboxamide (PubChem CID 167763328) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 5-amino-3-propan-2-yl-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-propan-2-yl-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]pyrazole-4-carboxamide
PubChem CID167763328
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name5-amino-3-propan-2-yl-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]pyrazole-4-carboxamide
SMILESCC(C)c1nn(C(=O)c2cccn2Cc2cccs2)c(N)c1C(N)=O
InChIInChI=1S/C17H19N5O2S/c1-10(2)14-13(16(19)23)15(18)22(20-14)17(24)12-6-3-7-21(12)9-11-5-4-8-25-11/h3-8,10H,9,18H2,1-2H3,(H2,19,23)
InChIKeyNCPDHIWWYNNARX-UHFFFAOYSA-N
XLogP2.29
TPSA108.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-amino-3-propan-2-yl-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

N-[(2R)-1-amino-1-oxopropan-2-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 96563172
1-(thiophen-2-ylmethyl)pyrrole-2-carbothioamide
CID 114653630
3-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 119221189
N-(3-aminobutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119499620
N,N-diethyl-4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazine-1-sulfonamide
CID 55930197
(4-aminopiperidin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone;hydrochloride
CID 119376847
N-(2-amino-2-ethylbutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119643874
(2R)-2-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 124610210
(3S)-3-methyl-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 124610385
N-(3-aminopropyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119408953
1-[1-(2-thiophen-2-ylethyl)pyrrol-2-yl]ethanone
CID 79106807
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 97194203

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-propan-2-yl-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-propan-2-yl-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]pyrazole-4-carboxamide (CID 167763328) is 5-amino-3-propan-2-yl-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-propan-2-yl-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-propan-2-yl-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]pyrazole-4-carboxamide is CC(C)c1nn(C(=O)c2cccn2Cc2cccs2)c(N)c1C(N)=O.
What is the InChIKey of 5-amino-3-propan-2-yl-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]pyrazole-4-carboxamide?
The InChIKey is NCPDHIWWYNNARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-10(2)14-13(16(19)23)15(18)22(20-14)17(24)12-6-3-7-21(12)9-11-5-4-8-25-11/h3-8,10H,9,18H2,1-2H3,(H2,19,23).
What are the key properties of 5-amino-3-propan-2-yl-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]pyrazole-4-carboxamide?
5-amino-3-propan-2-yl-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]pyrazole-4-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-propan-2-yl-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]pyrazole-4-carboxamide is sourced from PubChem (CID 167763328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).