N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide

C16H21F2N5O — CID 56826862

IUPACN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)c1C(F)F
InChIInChI=1S/C16H21F2N5O/c1-23-14(15(17)18)12(9-19-23)16(24)20-13-8-11(21-22-13)7-10-5-3-2-4-6-10/h8-10,15H,2-7H2,1H3,(H2,20,21,22,24)
InChIKeyASFUFNIAOHLPHY-UHFFFAOYSA-N
MW337.37 g/mol
LogP3.46
Rot. Bonds5

About N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 56826862) has the molecular formula C16H21F2N5O and a molecular weight of 337.37 g/mol. Its IUPAC name is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide
PubChem CID56826862
Molecular FormulaC16H21F2N5O
Molecular Weight337.37 g/mol
Exact Mass337.17
IUPAC NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)c1C(F)F
InChIInChI=1S/C16H21F2N5O/c1-23-14(15(17)18)12(9-19-23)16(24)20-13-8-11(21-22-13)7-10-5-3-2-4-6-10/h8-10,15H,2-7H2,1H3,(H2,20,21,22,24)
InChIKeyASFUFNIAOHLPHY-UHFFFAOYSA-N
XLogP3.46
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide (CID 56826862) is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide is Cn1ncc(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)c1C(F)F.
What is the InChIKey of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is ASFUFNIAOHLPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N5O/c1-23-14(15(17)18)12(9-19-23)16(24)20-13-8-11(21-22-13)7-10-5-3-2-4-6-10/h8-10,15H,2-7H2,1H3,(H2,20,21,22,24).
What are the key properties of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 337.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 56826862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).