N-(1-anilino-1-oxopropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

C16H20N4O2 — CID 56787958

IUPACN-(1-anilino-1-oxopropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(NC(=O)c1cc(C(C)C)[nH]n1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H20N4O2/c1-10(2)13-9-14(20-19-13)16(22)17-11(3)15(21)18-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,17,22)(H,18,21)(H,19,20)
InChIKeyXSHMWIIPONWHEI-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.29
Rot. Bonds5

About N-(1-anilino-1-oxopropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-(1-anilino-1-oxopropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 56787958) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(1-anilino-1-oxopropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-anilino-1-oxopropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID56787958
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-(1-anilino-1-oxopropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(NC(=O)c1cc(C(C)C)[nH]n1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H20N4O2/c1-10(2)13-9-14(20-19-13)16(22)17-11(3)15(21)18-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,17,22)(H,18,21)(H,19,20)
InChIKeyXSHMWIIPONWHEI-UHFFFAOYSA-N
XLogP2.29
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
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2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of N-(1-anilino-1-oxopropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(1-anilino-1-oxopropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 56787958) is N-(1-anilino-1-oxopropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-anilino-1-oxopropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(1-anilino-1-oxopropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(NC(=O)c1cc(C(C)C)[nH]n1)C(=O)Nc1ccccc1.
What is the InChIKey of N-(1-anilino-1-oxopropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is XSHMWIIPONWHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10(2)13-9-14(20-19-13)16(22)17-11(3)15(21)18-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,17,22)(H,18,21)(H,19,20).
What are the key properties of N-(1-anilino-1-oxopropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-(1-anilino-1-oxopropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-anilino-1-oxopropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56787958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).