4-amino-N-(1-amino-1-oxopropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide

C9H15N5O2 — CID 66120266

IUPAC4-amino-N-(1-amino-1-oxopropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NC(C)C(N)=O)c1N
InChIInChI=1S/C9H15N5O2/c1-4-6(10)7(14(3)13-4)9(16)12-5(2)8(11)15/h5H,10H2,1-3H3,(H2,11,15)(H,12,16)
InChIKeyICOJNHGCZSRMHS-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.09
Rot. Bonds3

About 4-amino-N-(1-amino-1-oxopropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide

4-amino-N-(1-amino-1-oxopropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 66120266) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-amino-N-(1-amino-1-oxopropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-amino-1-oxopropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID66120266
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name4-amino-N-(1-amino-1-oxopropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NC(C)C(N)=O)c1N
InChIInChI=1S/C9H15N5O2/c1-4-6(10)7(14(3)13-4)9(16)12-5(2)8(11)15/h5H,10H2,1-3H3,(H2,11,15)(H,12,16)
InChIKeyICOJNHGCZSRMHS-UHFFFAOYSA-N
XLogP-1.09
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(3-ethylpentan-2-yl)-1,3-dimethylpyrazole-5-carboxamide
CID 66124207
2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propanamide
CID 43554343
4-amino-N-(1-amino-1-oxopropan-2-yl)-1-methylpyrazole-5-carboxamide
CID 65355770
4-amino-1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 66123978
4-amino-1,3-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide
CID 106259622
4-amino-N-[1-(3-fluorophenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66123418
4-amino-1,3-dimethyl-N-(5-methylhexyl)pyrazole-5-carboxamide
CID 113287247
4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide
CID 66122417
4-amino-1,3-dimethyl-N-pyrimidin-2-ylpyrazole-5-carboxamide
CID 66121641
methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)amino]acetate
CID 66120847
4-amino-1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-5-carboxamide
CID 66124389
4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66123246

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-amino-1-oxopropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-amino-1-oxopropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide (CID 66120266) is 4-amino-N-(1-amino-1-oxopropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-amino-1-oxopropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-amino-1-oxopropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)NC(C)C(N)=O)c1N.
What is the InChIKey of 4-amino-N-(1-amino-1-oxopropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is ICOJNHGCZSRMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-4-6(10)7(14(3)13-4)9(16)12-5(2)8(11)15/h5H,10H2,1-3H3,(H2,11,15)(H,12,16).
What are the key properties of 4-amino-N-(1-amino-1-oxopropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-(1-amino-1-oxopropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-amino-1-oxopropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66120266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).