4-amino-1-[2-oxo-2-(propylamino)ethyl]pyrazole-3-carboxamide

C9H15N5O2 — CID 107345144

IUPAC4-amino-1-[2-oxo-2-(propylamino)ethyl]pyrazole-3-carboxamide
SMILESCCCNC(=O)Cn1cc(N)c(C(N)=O)n1
InChIInChI=1S/C9H15N5O2/c1-2-3-12-7(15)5-14-4-6(10)8(13-14)9(11)16/h4H,2-3,5,10H2,1H3,(H2,11,16)(H,12,15)
InChIKeyYOVQDPVVKYOBRZ-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.91
Rot. Bonds5

About 4-amino-1-[2-oxo-2-(propylamino)ethyl]pyrazole-3-carboxamide

4-amino-1-[2-oxo-2-(propylamino)ethyl]pyrazole-3-carboxamide (PubChem CID 107345144) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-amino-1-[2-oxo-2-(propylamino)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-[2-oxo-2-(propylamino)ethyl]pyrazole-3-carboxamide
PubChem CID107345144
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name4-amino-1-[2-oxo-2-(propylamino)ethyl]pyrazole-3-carboxamide
SMILESCCCNC(=O)Cn1cc(N)c(C(N)=O)n1
InChIInChI=1S/C9H15N5O2/c1-2-3-12-7(15)5-14-4-6(10)8(13-14)9(11)16/h4H,2-3,5,10H2,1H3,(H2,11,16)(H,12,15)
InChIKeyYOVQDPVVKYOBRZ-UHFFFAOYSA-N
XLogP-0.91
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxamide
CID 107345403
ethyl 4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107345027
4-amino-1-heptylpyrazole-3-carboxamide
CID 107345098
4-amino-1-[2-(3-methylbutylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 107344279
4-amino-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazole-3-carboxamide
CID 107345158
ethyl 4-amino-1-[2-(2-cyanoethylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107344908
4-amino-1-[3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide
CID 107345223
ethyl 4-amino-1-[2-(cyanomethylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107344822
methyl 4-amino-1-(2-amino-2-oxoethyl)pyrazole-3-carboxylate
CID 107344544
methyl 4-amino-1-[2-oxo-2-(pentan-2-ylamino)ethyl]pyrazole-3-carboxylate
CID 107344698
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-propylacetamide
CID 62399435
4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 65359089

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-oxo-2-(propylamino)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-[2-oxo-2-(propylamino)ethyl]pyrazole-3-carboxamide (CID 107345144) is 4-amino-1-[2-oxo-2-(propylamino)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-[2-oxo-2-(propylamino)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-[2-oxo-2-(propylamino)ethyl]pyrazole-3-carboxamide is CCCNC(=O)Cn1cc(N)c(C(N)=O)n1.
What is the InChIKey of 4-amino-1-[2-oxo-2-(propylamino)ethyl]pyrazole-3-carboxamide?
The InChIKey is YOVQDPVVKYOBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-2-3-12-7(15)5-14-4-6(10)8(13-14)9(11)16/h4H,2-3,5,10H2,1H3,(H2,11,16)(H,12,15).
What are the key properties of 4-amino-1-[2-oxo-2-(propylamino)ethyl]pyrazole-3-carboxamide?
4-amino-1-[2-oxo-2-(propylamino)ethyl]pyrazole-3-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-oxo-2-(propylamino)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 107345144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).