N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide

C19H21FN6O — CID 91887871

IUPACN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1
InChIInChI=1S/C19H21FN6O/c1-25-17(8-9-21-25)19(27)22-15-3-2-10-26(12-15)18-11-16(23-24-18)13-4-6-14(20)7-5-13/h4-9,11,15H,2-3,10,12H2,1H3,(H,22,27)(H,23,24)
InChIKeyUHSWGBURFZUCAF-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.35
Rot. Bonds4

About N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide

N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 91887871) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide
PubChem CID91887871
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1
InChIInChI=1S/C19H21FN6O/c1-25-17(8-9-21-25)19(27)22-15-3-2-10-26(12-15)18-11-16(23-24-18)13-4-6-14(20)7-5-13/h4-9,11,15H,2-3,10,12H2,1H3,(H,22,27)(H,23,24)
InChIKeyUHSWGBURFZUCAF-UHFFFAOYSA-N
XLogP2.35
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide (CID 91887871) is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NC1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1.
What is the InChIKey of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is UHSWGBURFZUCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O/c1-25-17(8-9-21-25)19(27)22-15-3-2-10-26(12-15)18-11-16(23-24-18)13-4-6-14(20)7-5-13/h4-9,11,15H,2-3,10,12H2,1H3,(H,22,27)(H,23,24).
What are the key properties of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide?
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 91887871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).