N-[[4-[(4-fluorophenoxy)methyl]cyclohexyl]methyl]-1H-pyrazole-4-carboxamide

C18H22FN3O2 — CID 11278969

IUPACN-[[4-[(4-fluorophenoxy)methyl]cyclohexyl]methyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCC1CCC(COc2ccc(F)cc2)CC1)c1cn[nH]c1
InChIInChI=1S/C18H22FN3O2/c19-16-5-7-17(8-6-16)24-12-14-3-1-13(2-4-14)9-20-18(23)15-10-21-22-11-15/h5-8,10-11,13-14H,1-4,9,12H2,(H,20,23)(H,21,22)
InChIKeyQYPBSOTTYCLPNG-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.16
Rot. Bonds6

About N-[[4-[(4-fluorophenoxy)methyl]cyclohexyl]methyl]-1H-pyrazole-4-carboxamide

N-[[4-[(4-fluorophenoxy)methyl]cyclohexyl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 11278969) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[[4-[(4-fluorophenoxy)methyl]cyclohexyl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[(4-fluorophenoxy)methyl]cyclohexyl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID11278969
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC NameN-[[4-[(4-fluorophenoxy)methyl]cyclohexyl]methyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCC1CCC(COc2ccc(F)cc2)CC1)c1cn[nH]c1
InChIInChI=1S/C18H22FN3O2/c19-16-5-7-17(8-6-16)24-12-14-3-1-13(2-4-14)9-20-18(23)15-10-21-22-11-15/h5-8,10-11,13-14H,1-4,9,12H2,(H,20,23)(H,21,22)
InChIKeyQYPBSOTTYCLPNG-UHFFFAOYSA-N
XLogP3.16
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(5S)-5-[2-(4-fluorophenoxy)ethyl]oxan-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 58923704
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CID 6734414
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid
CID 66812671
N-[[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 119048678
2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106122071
N-[[4-[(4-methoxyphenoxy)methyl]cyclohexyl]methyl]-4-phenylmethoxybenzamide
CID 58923644
4-(cyclohexylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120943780
N-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide
CID 106127378
[4-[(4-aminophenoxy)methyl]cyclohexyl]methylcarbamic acid
CID 174110180
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110639067
N-(cyclopropylmethyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642346

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluorophenoxy)methyl]cyclohexyl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[4-[(4-fluorophenoxy)methyl]cyclohexyl]methyl]-1H-pyrazole-4-carboxamide (CID 11278969) is N-[[4-[(4-fluorophenoxy)methyl]cyclohexyl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-[(4-fluorophenoxy)methyl]cyclohexyl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[4-[(4-fluorophenoxy)methyl]cyclohexyl]methyl]-1H-pyrazole-4-carboxamide is O=C(NCC1CCC(COc2ccc(F)cc2)CC1)c1cn[nH]c1.
What is the InChIKey of N-[[4-[(4-fluorophenoxy)methyl]cyclohexyl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is QYPBSOTTYCLPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c19-16-5-7-17(8-6-16)24-12-14-3-1-13(2-4-14)9-20-18(23)15-10-21-22-11-15/h5-8,10-11,13-14H,1-4,9,12H2,(H,20,23)(H,21,22).
What are the key properties of N-[[4-[(4-fluorophenoxy)methyl]cyclohexyl]methyl]-1H-pyrazole-4-carboxamide?
N-[[4-[(4-fluorophenoxy)methyl]cyclohexyl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluorophenoxy)methyl]cyclohexyl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 11278969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).