N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C17H22ClFN4O2 — CID 120634436

IUPACN-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)Nc2cnn(-c3ccccc3F)c2)CCNCC1.Cl
InChIInChI=1S/C17H21FN4O2.ClH/c1-24-12-17(6-8-19-9-7-17)16(23)21-13-10-20-22(11-13)15-5-3-2-4-14(15)18;/h2-5,10-11,19H,6-9,12H2,1H3,(H,21,23);1H
InChIKeySCRCXMDIAVZYGN-UHFFFAOYSA-N
MW368.84 g/mol
LogP2.39
Rot. Bonds5

About N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120634436) has the molecular formula C17H22ClFN4O2 and a molecular weight of 368.84 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120634436
Molecular FormulaC17H22ClFN4O2
Molecular Weight368.84 g/mol
Exact Mass368.14
IUPAC NameN-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)Nc2cnn(-c3ccccc3F)c2)CCNCC1.Cl
InChIInChI=1S/C17H21FN4O2.ClH/c1-24-12-17(6-8-19-9-7-17)16(23)21-13-10-20-22(11-13)15-5-3-2-4-14(15)18;/h2-5,10-11,19H,6-9,12H2,1H3,(H,21,23);1H
InChIKeySCRCXMDIAVZYGN-UHFFFAOYSA-N
XLogP2.39
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-difluorophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120620409
4-(methoxymethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 120619785
ethyl 2-[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride
CID 120639200
4-methoxy-N-(1-phenylpyrazol-4-yl)piperidine-4-carboxamide;hydrochloride
CID 119753029
N-(4-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120616741
N-[1-(2-fluorophenyl)pyrazol-4-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119794282
4-(methoxymethyl)-N-[4-(triazol-2-yl)phenyl]piperidine-4-carboxamide
CID 120623718
N-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120622758
4-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120624401
4-(methoxymethyl)-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide;hydrochloride
CID 120618740
N-[3-(difluoromethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120630102
N-[1-(2-fluorophenyl)pyrazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 71856412

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120634436) is N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)Nc2cnn(-c3ccccc3F)c2)CCNCC1.Cl.
What is the InChIKey of N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is SCRCXMDIAVZYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2.ClH/c1-24-12-17(6-8-19-9-7-17)16(23)21-13-10-20-22(11-13)15-5-3-2-4-14(15)18;/h2-5,10-11,19H,6-9,12H2,1H3,(H,21,23);1H.
What are the key properties of N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 368.84 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120634436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).