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

C12H19N5O2 — CID 106913796

IUPAC4-amino-5-cyclopropyl-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide
SMILESCNC(=O)CCN(C)C(=O)c1n[nH]c(C2CC2)c1N
InChIInChI=1S/C12H19N5O2/c1-14-8(18)5-6-17(2)12(19)11-9(13)10(15-16-11)7-3-4-7/h7H,3-6,13H2,1-2H3,(H,14,18)(H,15,16)
InChIKeySIOLPZVKRILFNA-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.08
Rot. Bonds5

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

4-amino-5-cyclopropyl-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide (PubChem CID 106913796) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide
PubChem CID106913796
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name4-amino-5-cyclopropyl-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide
SMILESCNC(=O)CCN(C)C(=O)c1n[nH]c(C2CC2)c1N
InChIInChI=1S/C12H19N5O2/c1-14-8(18)5-6-17(2)12(19)11-9(13)10(15-16-11)7-3-4-7/h7H,3-6,13H2,1-2H3,(H,14,18)(H,15,16)
InChIKeySIOLPZVKRILFNA-UHFFFAOYSA-N
XLogP0.08
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-cyclopropyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide
CID 62077794
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CID 62075477
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide
CID 62078626
4-amino-5-cyclopropyl-N-methyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62078609
4-amino-5-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-3-carboxamide
CID 62077444
4-amino-5-cyclopropyl-N-(furan-3-ylmethyl)-N-methyl-1H-pyrazole-3-carboxamide
CID 55034313
4-amino-5-cyclopropyl-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62080103
4-amino-5-cyclopropyl-N-methyl-N-(4-methylpentan-2-yl)-1H-pyrazole-3-carboxamide
CID 62079159
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-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-3-carboxamide
CID 62079532
4-amino-5-cyclopropyl-N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-3-carboxamide
CID 102990884

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-cyclopropyl-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide (CID 106913796) is 4-amino-5-cyclopropyl-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyclopropyl-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-cyclopropyl-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide is CNC(=O)CCN(C)C(=O)c1n[nH]c(C2CC2)c1N.
What is the InChIKey of 4-amino-5-cyclopropyl-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide?
The InChIKey is SIOLPZVKRILFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-14-8(18)5-6-17(2)12(19)11-9(13)10(15-16-11)7-3-4-7/h7H,3-6,13H2,1-2H3,(H,14,18)(H,15,16).
What are the key properties of 4-amino-5-cyclopropyl-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide?
4-amino-5-cyclopropyl-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopropyl-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 106913796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).