1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]cycloheptan-1-ol

C14H23ClN2O2 — CID 103452008

IUPAC1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]cycloheptan-1-ol
SMILESCC(C)n1ncc(Cl)c1C(O)C1(O)CCCCCC1
InChIInChI=1S/C14H23ClN2O2/c1-10(2)17-12(11(15)9-16-17)13(18)14(19)7-5-3-4-6-8-14/h9-10,13,18-19H,3-8H2,1-2H3
InChIKeyPYUDNVSUTJGYRJ-UHFFFAOYSA-N
MW286.80 g/mol
LogP3.24
Rot. Bonds3

About 1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]cycloheptan-1-ol

1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]cycloheptan-1-ol (PubChem CID 103452008) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]cycloheptan-1-ol
PubChem CID103452008
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]cycloheptan-1-ol
SMILESCC(C)n1ncc(Cl)c1C(O)C1(O)CCCCCC1
InChIInChI=1S/C14H23ClN2O2/c1-10(2)17-12(11(15)9-16-17)13(18)14(19)7-5-3-4-6-8-14/h9-10,13,18-19H,3-8H2,1-2H3
InChIKeyPYUDNVSUTJGYRJ-UHFFFAOYSA-N
XLogP3.24
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830598
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanol
CID 114644578
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-hydroxycyclohexyl)methanone
CID 103449641
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanol
CID 114645850
1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243362
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methyl]hydrazine
CID 105336781
2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-1-ol
CID 164658431
1-[(4-chloro-1-methylpyrazol-5-yl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 103452342
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine
CID 114661743
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114635180
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methyloxan-2-yl)methanol
CID 114645058
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-methyloxolan-2-yl)methyl]hydrazine
CID 105250965

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]cycloheptan-1-ol?
The IUPAC name of 1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]cycloheptan-1-ol (CID 103452008) is 1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]cycloheptan-1-ol is CC(C)n1ncc(Cl)c1C(O)C1(O)CCCCCC1.
What is the InChIKey of 1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]cycloheptan-1-ol?
The InChIKey is PYUDNVSUTJGYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2/c1-10(2)17-12(11(15)9-16-17)13(18)14(19)7-5-3-4-6-8-14/h9-10,13,18-19H,3-8H2,1-2H3.
What are the key properties of 1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]cycloheptan-1-ol?
1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]cycloheptan-1-ol has a molecular weight of 286.80 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]cycloheptan-1-ol is sourced from PubChem (CID 103452008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).