4-amino-5-cyclopropyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide

C11H17N5O2 — CID 62077794

IUPAC4-amino-5-cyclopropyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide
SMILESCNC(=O)CCNC(=O)c1n[nH]c(C2CC2)c1N
InChIInChI=1S/C11H17N5O2/c1-13-7(17)4-5-14-11(18)10-8(12)9(15-16-10)6-2-3-6/h6H,2-5,12H2,1H3,(H,13,17)(H,14,18)(H,15,16)
InChIKeyZPTCDXVBCJFKSF-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.26
Rot. Bonds5

About 4-amino-5-cyclopropyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide

4-amino-5-cyclopropyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide (PubChem CID 62077794) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide
PubChem CID62077794
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name4-amino-5-cyclopropyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide
SMILESCNC(=O)CCNC(=O)c1n[nH]c(C2CC2)c1N
InChIInChI=1S/C11H17N5O2/c1-13-7(17)4-5-14-11(18)10-8(12)9(15-16-10)6-2-3-6/h6H,2-5,12H2,1H3,(H,13,17)(H,14,18)(H,15,16)
InChIKeyZPTCDXVBCJFKSF-UHFFFAOYSA-N
XLogP-0.26
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-cyclopropyl-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide
CID 106913796
4-amino-5-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-3-carboxamide
CID 62077444
4-amino-5-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide
CID 62078792
4-amino-5-cyclopropyl-N-[2-(dimethylsulfamoyl)ethyl]-1H-pyrazole-3-carboxamide
CID 106333015
4-amino-5-cyclopropyl-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-3-carboxamide
CID 62077789
4-amino-5-cyclopropyl-N-(3-sulfamoylpropyl)-1H-pyrazole-3-carboxamide
CID 62077959
4-amino-5-cyclopropyl-N-[(2S)-2-hydroxypropyl]-1H-pyrazole-3-carboxamide
CID 107211171
4-amino-5-cyclopropyl-N-hex-5-ynyl-1H-pyrazole-3-carboxamide
CID 106208189
4-amino-N-(2-cyclopentyloxyethyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 63826168
4-amino-5-cyclopropyl-N-(2,2-difluoroethyl)-1H-pyrazole-3-carboxamide
CID 115405300
4-amino-5-cyclopropyl-N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-3-carboxamide
CID 106324532
4-amino-5-cyclopropyl-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-3-carboxamide
CID 106425250

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-cyclopropyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide (CID 62077794) is 4-amino-5-cyclopropyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyclopropyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-cyclopropyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide is CNC(=O)CCNC(=O)c1n[nH]c(C2CC2)c1N.
What is the InChIKey of 4-amino-5-cyclopropyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide?
The InChIKey is ZPTCDXVBCJFKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-13-7(17)4-5-14-11(18)10-8(12)9(15-16-10)6-2-3-6/h6H,2-5,12H2,1H3,(H,13,17)(H,14,18)(H,15,16).
What are the key properties of 4-amino-5-cyclopropyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide?
4-amino-5-cyclopropyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.26, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopropyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62077794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).