N-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

C11H15N5O — CID 47284067

IUPACN-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cnn(C)c2)n[nH]1
InChIInChI=1S/C11H15N5O/c1-7(2)9-4-10(15-14-9)11(17)13-8-5-12-16(3)6-8/h4-7H,1-3H3,(H,13,17)(H,14,15)
InChIKeyZOYDGVAQKYQQRB-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.52
Rot. Bonds3

About N-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 47284067) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID47284067
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC NameN-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cnn(C)c2)n[nH]1
InChIInChI=1S/C11H15N5O/c1-7(2)9-4-10(15-14-9)11(17)13-8-5-12-16(3)6-8/h4-7H,1-3H3,(H,13,17)(H,14,15)
InChIKeyZOYDGVAQKYQQRB-UHFFFAOYSA-N
XLogP1.52
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 47284067) is N-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)Nc2cnn(C)c2)n[nH]1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is ZOYDGVAQKYQQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-7(2)9-4-10(15-14-9)11(17)13-8-5-12-16(3)6-8/h4-7H,1-3H3,(H,13,17)(H,14,15).
What are the key properties of N-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47284067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).