N-(1-butyl-5-methylpyrazol-3-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide

C15H21N5O — CID 19590890

IUPACN-(1-butyl-5-methylpyrazol-3-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESCCCCn1nc(NC(=O)c2cc(C3CC3)[nH]n2)cc1C
InChIInChI=1S/C15H21N5O/c1-3-4-7-20-10(2)8-14(19-20)16-15(21)13-9-12(17-18-13)11-5-6-11/h8-9,11H,3-7H2,1-2H3,(H,17,18)(H,16,19,21)
InChIKeyZAGJMPSBRFHDOZ-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.84
Rot. Bonds6

About N-(1-butyl-5-methylpyrazol-3-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide

N-(1-butyl-5-methylpyrazol-3-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide (PubChem CID 19590890) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-(1-butyl-5-methylpyrazol-3-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-butyl-5-methylpyrazol-3-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
PubChem CID19590890
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-(1-butyl-5-methylpyrazol-3-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESCCCCn1nc(NC(=O)c2cc(C3CC3)[nH]n2)cc1C
InChIInChI=1S/C15H21N5O/c1-3-4-7-20-10(2)8-14(19-20)16-15(21)13-9-12(17-18-13)11-5-6-11/h8-9,11H,3-7H2,1-2H3,(H,17,18)(H,16,19,21)
InChIKeyZAGJMPSBRFHDOZ-UHFFFAOYSA-N
XLogP2.84
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-5-methylpyrazol-3-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(1-butyl-5-methylpyrazol-3-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide (CID 19590890) is N-(1-butyl-5-methylpyrazol-3-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-butyl-5-methylpyrazol-3-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(1-butyl-5-methylpyrazol-3-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide is CCCCn1nc(NC(=O)c2cc(C3CC3)[nH]n2)cc1C.
What is the InChIKey of N-(1-butyl-5-methylpyrazol-3-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The InChIKey is ZAGJMPSBRFHDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-4-7-20-10(2)8-14(19-20)16-15(21)13-9-12(17-18-13)11-5-6-11/h8-9,11H,3-7H2,1-2H3,(H,17,18)(H,16,19,21).
What are the key properties of N-(1-butyl-5-methylpyrazol-3-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
N-(1-butyl-5-methylpyrazol-3-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-5-methylpyrazol-3-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19590890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).