4-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide

C11H17N5O2 — CID 113406538

IUPAC4-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NC(C)C(=O)NC2CC2)c1N
InChIInChI=1S/C11H17N5O2/c1-5-8(12)9(16-15-5)11(18)13-6(2)10(17)14-7-3-4-7/h6-7H,3-4,12H2,1-2H3,(H,13,18)(H,14,17)(H,15,16)
InChIKeyQAEOZCBVIBZIAB-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.30
Rot. Bonds4

About 4-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide

4-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 113406538) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID113406538
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name4-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NC(C)C(=O)NC2CC2)c1N
InChIInChI=1S/C11H17N5O2/c1-5-8(12)9(16-15-5)11(18)13-6(2)10(17)14-7-3-4-7/h6-7H,3-4,12H2,1-2H3,(H,13,18)(H,14,17)(H,15,16)
InChIKeyQAEOZCBVIBZIAB-UHFFFAOYSA-N
XLogP-0.30
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide (CID 113406538) is 4-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NC(C)C(=O)NC2CC2)c1N.
What is the InChIKey of 4-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is QAEOZCBVIBZIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-5-8(12)9(16-15-5)11(18)13-6(2)10(17)14-7-3-4-7/h6-7H,3-4,12H2,1-2H3,(H,13,18)(H,14,17)(H,15,16).
What are the key properties of 4-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide?
4-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.30, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 113406538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).