4-amino-1-[3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide

C8H13N5O2 — CID 107345223

IUPAC4-amino-1-[3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide
SMILESCNC(=O)CCn1cc(N)c(C(N)=O)n1
InChIInChI=1S/C8H13N5O2/c1-11-6(14)2-3-13-4-5(9)7(12-13)8(10)15/h4H,2-3,9H2,1H3,(H2,10,15)(H,11,14)
InChIKeyAEXJNHRFIYYKQU-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.30
Rot. Bonds4

About 4-amino-1-[3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide

4-amino-1-[3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide (PubChem CID 107345223) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-amino-1-[3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-[3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide
PubChem CID107345223
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name4-amino-1-[3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide
SMILESCNC(=O)CCn1cc(N)c(C(N)=O)n1
InChIInChI=1S/C8H13N5O2/c1-11-6(14)2-3-13-4-5(9)7(12-13)8(10)15/h4H,2-3,9H2,1H3,(H2,10,15)(H,11,14)
InChIKeyAEXJNHRFIYYKQU-UHFFFAOYSA-N
XLogP-1.30
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-heptylpyrazole-3-carboxamide
CID 107345098
3-(3-amino-4-bromopyrazol-1-yl)-N-methylpropanamide
CID 62324609
4-amino-1-(2-fluoroethyl)-N-methylpyrazole-3-carboxamide
CID 132586573
4-amino-1-[2-(2-hydroxyethoxy)ethyl]pyrazole-3-carboxamide
CID 107345439
4-amino-1-[2-oxo-2-(propylamino)ethyl]pyrazole-3-carboxamide
CID 107345144
methyl 4-amino-1-[3-oxo-3-(propan-2-ylamino)propyl]pyrazole-3-carboxylate
CID 107344412
ethyl 4-amino-1-[3-(ethylamino)-3-oxopropyl]pyrazole-3-carboxylate
CID 107344921
4-amino-1-[(2-methyltetrazol-5-yl)methyl]pyrazole-3-carboxamide
CID 107345303
4-amino-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 107345312
4-amino-1-[2-(trifluoromethoxy)ethyl]pyrazole-3-carboxamide
CID 107345280
4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxamide
CID 107345403
4-amino-1-(2-methylpropoxymethyl)pyrazole-3-carboxamide
CID 165472129

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-[3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide (CID 107345223) is 4-amino-1-[3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-[3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-[3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide is CNC(=O)CCn1cc(N)c(C(N)=O)n1.
What is the InChIKey of 4-amino-1-[3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide?
The InChIKey is AEXJNHRFIYYKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-11-6(14)2-3-13-4-5(9)7(12-13)8(10)15/h4H,2-3,9H2,1H3,(H2,10,15)(H,11,14).
What are the key properties of 4-amino-1-[3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide?
4-amino-1-[3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide is sourced from PubChem (CID 107345223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).