4-amino-5-(cyclopropanecarbonyl)-2-(1H-pyrazol-4-ylmethylamino)thiophene-3-carboxamide

C13H15N5O2S — CID 103433645

IUPAC4-amino-5-(cyclopropanecarbonyl)-2-(1H-pyrazol-4-ylmethylamino)thiophene-3-carboxamide
SMILESNC(=O)c1c(NCc2cn[nH]c2)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C13H15N5O2S/c14-9-8(12(15)20)13(16-3-6-4-17-18-5-6)21-11(9)10(19)7-1-2-7/h4-5,7,16H,1-3,14H2,(H2,15,20)(H,17,18)
InChIKeyNCEBPOQWUBQDCK-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.36
Rot. Bonds6

About 4-amino-5-(cyclopropanecarbonyl)-2-(1H-pyrazol-4-ylmethylamino)thiophene-3-carboxamide

4-amino-5-(cyclopropanecarbonyl)-2-(1H-pyrazol-4-ylmethylamino)thiophene-3-carboxamide (PubChem CID 103433645) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-amino-5-(cyclopropanecarbonyl)-2-(1H-pyrazol-4-ylmethylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-(cyclopropanecarbonyl)-2-(1H-pyrazol-4-ylmethylamino)thiophene-3-carboxamide
PubChem CID103433645
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name4-amino-5-(cyclopropanecarbonyl)-2-(1H-pyrazol-4-ylmethylamino)thiophene-3-carboxamide
SMILESNC(=O)c1c(NCc2cn[nH]c2)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C13H15N5O2S/c14-9-8(12(15)20)13(16-3-6-4-17-18-5-6)21-11(9)10(19)7-1-2-7/h4-5,7,16H,1-3,14H2,(H2,15,20)(H,17,18)
InChIKeyNCEBPOQWUBQDCK-UHFFFAOYSA-N
XLogP1.36
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-propan-2-yloxy-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carboxamide
CID 103434587
ethyl 5-acetyl-4-amino-2-(1H-pyrazol-4-ylmethylamino)thiophene-3-carboxylate
CID 103433771
5-acetyl-4-amino-2-(pyridin-4-ylmethylamino)thiophene-3-carboxamide
CID 103426726
3-amino-4-cyclopropyl-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carbonitrile
CID 103434310
3-amino-4-cyano-N-prop-2-enyl-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carboxamide
CID 103434271
methyl 4-amino-5-(cyclopropanecarbonyl)-2-[2-(dimethylamino)ethylamino]thiophene-3-carboxylate
CID 103424345
ethyl 4-amino-5-(cyclopropanecarbonyl)-2-(methylamino)thiophene-3-carboxylate
CID 103424237
[3-amino-4-methoxy-5-(3-methylbutylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103425667
N-(1H-pyrazol-4-ylmethyl)piperidine-4-carboxamide
CID 61000741
[3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone
CID 103423405
3-amino-2-N-cyclopropyl-5-(propylamino)thiophene-2,4-dicarboxamide
CID 103423057
4-amino-5-(cyclopropanecarbonyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-3-carbonitrile
CID 106412944

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(cyclopropanecarbonyl)-2-(1H-pyrazol-4-ylmethylamino)thiophene-3-carboxamide?
The IUPAC name of 4-amino-5-(cyclopropanecarbonyl)-2-(1H-pyrazol-4-ylmethylamino)thiophene-3-carboxamide (CID 103433645) is 4-amino-5-(cyclopropanecarbonyl)-2-(1H-pyrazol-4-ylmethylamino)thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-(cyclopropanecarbonyl)-2-(1H-pyrazol-4-ylmethylamino)thiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-(cyclopropanecarbonyl)-2-(1H-pyrazol-4-ylmethylamino)thiophene-3-carboxamide is NC(=O)c1c(NCc2cn[nH]c2)sc(C(=O)C2CC2)c1N.
What is the InChIKey of 4-amino-5-(cyclopropanecarbonyl)-2-(1H-pyrazol-4-ylmethylamino)thiophene-3-carboxamide?
The InChIKey is NCEBPOQWUBQDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c14-9-8(12(15)20)13(16-3-6-4-17-18-5-6)21-11(9)10(19)7-1-2-7/h4-5,7,16H,1-3,14H2,(H2,15,20)(H,17,18).
What are the key properties of 4-amino-5-(cyclopropanecarbonyl)-2-(1H-pyrazol-4-ylmethylamino)thiophene-3-carboxamide?
4-amino-5-(cyclopropanecarbonyl)-2-(1H-pyrazol-4-ylmethylamino)thiophene-3-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 1.36, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(cyclopropanecarbonyl)-2-(1H-pyrazol-4-ylmethylamino)thiophene-3-carboxamide is sourced from PubChem (CID 103433645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).