4-amino-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazole-3-carboxamide

C11H17N5O2 — CID 107345158

IUPAC4-amino-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)NC2CCCC2)cc1N
InChIInChI=1S/C11H17N5O2/c12-8-5-16(15-10(8)11(13)18)6-9(17)14-7-3-1-2-4-7/h5,7H,1-4,6,12H2,(H2,13,18)(H,14,17)
InChIKeySXASOVRTSPNFDW-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.38
Rot. Bonds4

About 4-amino-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazole-3-carboxamide

4-amino-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazole-3-carboxamide (PubChem CID 107345158) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-amino-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazole-3-carboxamide
PubChem CID107345158
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name4-amino-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)NC2CCCC2)cc1N
InChIInChI=1S/C11H17N5O2/c12-8-5-16(15-10(8)11(13)18)6-9(17)14-7-3-1-2-4-7/h5,7H,1-4,6,12H2,(H2,13,18)(H,14,17)
InChIKeySXASOVRTSPNFDW-UHFFFAOYSA-N
XLogP-0.38
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-[2-(oxan-4-ylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 107344093
2-(3-amino-1,2,4-triazol-1-yl)-N-cyclooctylacetamide
CID 54901941
4-amino-1-[2-oxo-2-(propylamino)ethyl]pyrazole-3-carboxamide
CID 107345144
2-[4-(aminomethyl)triazol-1-yl]-N-cyclooctylacetamide
CID 115458881
2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide
CID 55029706
4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxamide
CID 107345403
4-amino-N-cyclohexyl-1-(2,2-difluoroethyl)pyrazole-3-carboxamide
CID 132586551
1-[2-(cyclohexylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 55134032
2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide
CID 114420022
3-[2-(cycloheptylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 4963609
N-cycloheptyl-2-(4-formyltriazol-1-yl)acetamide
CID 66215796
4-amino-1-[3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide
CID 107345223

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazole-3-carboxamide (CID 107345158) is 4-amino-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazole-3-carboxamide is NC(=O)c1nn(CC(=O)NC2CCCC2)cc1N.
What is the InChIKey of 4-amino-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazole-3-carboxamide?
The InChIKey is SXASOVRTSPNFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c12-8-5-16(15-10(8)11(13)18)6-9(17)14-7-3-1-2-4-7/h5,7H,1-4,6,12H2,(H2,13,18)(H,14,17).
What are the key properties of 4-amino-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazole-3-carboxamide?
4-amino-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazole-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 107345158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).