4-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,5-oxadiazole-3-carboxamide

C11H13N7O3 — CID 62688152

IUPAC4-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)Nc1cnn(CC(=O)NC2CC2)c1
InChIInChI=1S/C11H13N7O3/c12-10-9(16-21-17-10)11(20)15-7-3-13-18(4-7)5-8(19)14-6-1-2-6/h3-4,6H,1-2,5H2,(H2,12,17)(H,14,19)(H,15,20)
InChIKeyLFCHBYHRLQRXKU-UHFFFAOYSA-N
MW291.27 g/mol
LogP-0.62
Rot. Bonds5

About 4-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,5-oxadiazole-3-carboxamide

4-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62688152) has the molecular formula C11H13N7O3 and a molecular weight of 291.27 g/mol. Its IUPAC name is 4-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID62688152
Molecular FormulaC11H13N7O3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC Name4-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)Nc1cnn(CC(=O)NC2CC2)c1
InChIInChI=1S/C11H13N7O3/c12-10-9(16-21-17-10)11(20)15-7-3-13-18(4-7)5-8(19)14-6-1-2-6/h3-4,6H,1-2,5H2,(H2,12,17)(H,14,19)(H,15,20)
InChIKeyLFCHBYHRLQRXKU-UHFFFAOYSA-N
XLogP-0.62
TPSA140.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,5-oxadiazole-3-carboxamide with MolForge

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Related Compounds

2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride
CID 119944643
4-(aminomethyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]benzamide;hydrochloride
CID 119292222
2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 55035959
4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 63307715
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyethylamino)acetamide
CID 79270069
2-[4-[(2-aminophenyl)methylamino]pyrazol-1-yl]-N-cyclopropylacetamide
CID 66419223
N-cyclopropyl-2-[4-(propan-2-ylamino)pyrazol-1-yl]acetamide
CID 60931819
2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybutanamide
CID 62472501
2-bromo-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylbutanamide
CID 60933891
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-(ethylamino)propanamide
CID 62836061
3-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
CID 119728671
N-cyclopropyl-2-[4-(oxolan-2-ylmethylamino)pyrazol-1-yl]acetamide
CID 82836260

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,5-oxadiazole-3-carboxamide (CID 62688152) is 4-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)Nc1cnn(CC(=O)NC2CC2)c1.
What is the InChIKey of 4-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is LFCHBYHRLQRXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7O3/c12-10-9(16-21-17-10)11(20)15-7-3-13-18(4-7)5-8(19)14-6-1-2-6/h3-4,6H,1-2,5H2,(H2,12,17)(H,14,19)(H,15,20).
What are the key properties of 4-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 291.27 g/mol, XLogP of -0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62688152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).