3-cyclopropyl-N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-methylpyrazole-4-carboxamide

C17H21F2N5O — CID 154762491

IUPAC3-cyclopropyl-N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cc(C3CCC(F)(F)CC3)[nH]n2)c(C2CC2)n1
InChIInChI=1S/C17H21F2N5O/c1-24-9-12(15(23-24)11-2-3-11)16(25)20-14-8-13(21-22-14)10-4-6-17(18,19)7-5-10/h8-11H,2-7H2,1H3,(H2,20,21,22,25)
InChIKeyJQDCRUWZWCMZNB-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.57
Rot. Bonds4

About 3-cyclopropyl-N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-methylpyrazole-4-carboxamide

3-cyclopropyl-N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 154762491) has the molecular formula C17H21F2N5O and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-cyclopropyl-N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-methylpyrazole-4-carboxamide
PubChem CID154762491
Molecular FormulaC17H21F2N5O
Molecular Weight349.39 g/mol
Exact Mass349.17
IUPAC Name3-cyclopropyl-N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cc(C3CCC(F)(F)CC3)[nH]n2)c(C2CC2)n1
InChIInChI=1S/C17H21F2N5O/c1-24-9-12(15(23-24)11-2-3-11)16(25)20-14-8-13(21-22-14)10-4-6-17(18,19)7-5-10/h8-11H,2-7H2,1H3,(H2,20,21,22,25)
InChIKeyJQDCRUWZWCMZNB-UHFFFAOYSA-N
XLogP3.57
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-methylpyrazole-4-carboxamide (CID 154762491) is 3-cyclopropyl-N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2cc(C3CCC(F)(F)CC3)[nH]n2)c(C2CC2)n1.
What is the InChIKey of 3-cyclopropyl-N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is JQDCRUWZWCMZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N5O/c1-24-9-12(15(23-24)11-2-3-11)16(25)20-14-8-13(21-22-14)10-4-6-17(18,19)7-5-10/h8-11H,2-7H2,1H3,(H2,20,21,22,25).
What are the key properties of 3-cyclopropyl-N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-methylpyrazole-4-carboxamide?
3-cyclopropyl-N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 154762491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).