4-amino-1-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide

C11H19N5O2 — CID 65353943

IUPAC4-amino-1-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)c1nn(C)cc1N
InChIInChI=1S/C11H19N5O2/c1-4-5-13-10(17)7(2)14-11(18)9-8(12)6-16(3)15-9/h6-7H,4-5,12H2,1-3H3,(H,13,17)(H,14,18)
InChIKeyZQPFZUUIZZLHPF-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.35
Rot. Bonds5

About 4-amino-1-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide

4-amino-1-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide (PubChem CID 65353943) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-amino-1-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide
PubChem CID65353943
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name4-amino-1-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)c1nn(C)cc1N
InChIInChI=1S/C11H19N5O2/c1-4-5-13-10(17)7(2)14-11(18)9-8(12)6-16(3)15-9/h6-7H,4-5,12H2,1-3H3,(H,13,17)(H,14,18)
InChIKeyZQPFZUUIZZLHPF-UHFFFAOYSA-N
XLogP-0.35
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-hexan-2-yl-1-methylpyrazole-3-carboxamide
CID 65354482
4-amino-1-methyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 65355253
4-amino-N-hexyl-1-methylpyrazole-3-carboxamide
CID 65354108
4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-3-carboxamide
CID 65355940
4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide
CID 115405230
4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide
CID 65354874
4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide
CID 65355029
4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide
CID 65355744
4-amino-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
CID 107863890
4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
CID 65354392
4-amino-N-but-3-ynyl-1-methylpyrazole-3-carboxamide
CID 65355592
ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate
CID 65355222

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide (CID 65353943) is 4-amino-1-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide is CCCNC(=O)C(C)NC(=O)c1nn(C)cc1N.
What is the InChIKey of 4-amino-1-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide?
The InChIKey is ZQPFZUUIZZLHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-4-5-13-10(17)7(2)14-11(18)9-8(12)6-16(3)15-9/h6-7H,4-5,12H2,1-3H3,(H,13,17)(H,14,18).
What are the key properties of 4-amino-1-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide?
4-amino-1-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide has a molecular weight of 253.31 g/mol, XLogP of -0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 65353943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).