1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cycloheptan-1-ol

C14H24ClN3O — CID 111425320

IUPAC1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cycloheptan-1-ol
SMILESCc1nn(C)c(Cl)c1CNCC1(O)CCCCCC1
InChIInChI=1S/C14H24ClN3O/c1-11-12(13(15)18(2)17-11)9-16-10-14(19)7-5-3-4-6-8-14/h16,19H,3-10H2,1-2H3
InChIKeySGUXEGADZQHYEY-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.56
Rot. Bonds4

About 1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cycloheptan-1-ol

1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cycloheptan-1-ol (PubChem CID 111425320) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cycloheptan-1-ol
PubChem CID111425320
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cycloheptan-1-ol
SMILESCc1nn(C)c(Cl)c1CNCC1(O)CCCCCC1
InChIInChI=1S/C14H24ClN3O/c1-11-12(13(15)18(2)17-11)9-16-10-14(19)7-5-3-4-6-8-14/h16,19H,3-10H2,1-2H3
InChIKeySGUXEGADZQHYEY-UHFFFAOYSA-N
XLogP2.56
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-methylcyclohexan-1-ol
CID 111696257
2-[1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750158
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267627
1-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 111104684
4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]oxan-4-ol
CID 78928754
1-[[(5-chloro-1-methylimidazol-2-yl)methylamino]methyl]cycloheptan-1-ol
CID 65122472
1-[[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]methylamino]methyl]cyclobutan-1-ol
CID 166200282
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclooctan-1-amine
CID 113470743
[1-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]cyclopentyl]methanol
CID 115358694
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 115576248
3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
CID 77021928
(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[(1-hydroxycyclobutyl)methyl]prop-2-enamide
CID 115643482

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cycloheptan-1-ol (CID 111425320) is 1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cycloheptan-1-ol is Cc1nn(C)c(Cl)c1CNCC1(O)CCCCCC1.
What is the InChIKey of 1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cycloheptan-1-ol?
The InChIKey is SGUXEGADZQHYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-11-12(13(15)18(2)17-11)9-16-10-14(19)7-5-3-4-6-8-14/h16,19H,3-10H2,1-2H3.
What are the key properties of 1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cycloheptan-1-ol?
1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cycloheptan-1-ol has a molecular weight of 285.82 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 111425320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).