1-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol

C18H25N3O — CID 119108448

IUPAC1-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol
SMILESCc1ccc(-c2[nH]ncc2CNCC2(O)CCCCC2)cc1
InChIInChI=1S/C18H25N3O/c1-14-5-7-15(8-6-14)17-16(12-20-21-17)11-19-13-18(22)9-3-2-4-10-18/h5-8,12,19,22H,2-4,9-11,13H2,1H3,(H,20,21)
InChIKeyRLHNKYKXHFIPRZ-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.17
Rot. Bonds5

About 1-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol

1-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 119108448) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol
PubChem CID119108448
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol
SMILESCc1ccc(-c2[nH]ncc2CNCC2(O)CCCCC2)cc1
InChIInChI=1S/C18H25N3O/c1-14-5-7-15(8-6-14)17-16(12-20-21-17)11-19-13-18(22)9-3-2-4-10-18/h5-8,12,19,22H,2-4,9-11,13H2,1H3,(H,20,21)
InChIKeyRLHNKYKXHFIPRZ-UHFFFAOYSA-N
XLogP3.17
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol
CID 111114665
2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 17461528
2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]-2-methylcyclohexan-1-ol
CID 111696192
4-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]thian-4-ol
CID 111436650
4-methyl-1-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 65115239
2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;oxalic acid
CID 17461527
2-[[(1-hydroxycyclobutyl)methylamino]methyl]-4-methylphenol
CID 115625701
1-[[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol
CID 111382420
[1-[[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]cyclopentyl]methanol
CID 115358774
N-[(1-hydroxycyclohexyl)methyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 111485817
[1-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutyl]methanol
CID 126781528
(2S)-1-[4-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95272346

Frequently Asked Questions

What is the IUPAC name of 1-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol (CID 119108448) is 1-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol is Cc1ccc(-c2[nH]ncc2CNCC2(O)CCCCC2)cc1.
What is the InChIKey of 1-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol?
The InChIKey is RLHNKYKXHFIPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-14-5-7-15(8-6-14)17-16(12-20-21-17)11-19-13-18(22)9-3-2-4-10-18/h5-8,12,19,22H,2-4,9-11,13H2,1H3,(H,20,21).
What are the key properties of 1-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol?
1-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol has a molecular weight of 299.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 119108448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).