[1-(aminomethyl)cyclohexyl]-(1-propan-2-ylpyrazol-4-yl)methanol

C14H25N3O — CID 114075823

IUPAC[1-(aminomethyl)cyclohexyl]-(1-propan-2-ylpyrazol-4-yl)methanol
SMILESCC(C)n1cc(C(O)C2(CN)CCCCC2)cn1
InChIInChI=1S/C14H25N3O/c1-11(2)17-9-12(8-16-17)13(18)14(10-15)6-4-3-5-7-14/h8-9,11,13,18H,3-7,10,15H2,1-2H3
InChIKeyTZSRDVSDJJLESV-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.41
Rot. Bonds4

About [1-(aminomethyl)cyclohexyl]-(1-propan-2-ylpyrazol-4-yl)methanol

[1-(aminomethyl)cyclohexyl]-(1-propan-2-ylpyrazol-4-yl)methanol (PubChem CID 114075823) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]-(1-propan-2-ylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]-(1-propan-2-ylpyrazol-4-yl)methanol
PubChem CID114075823
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name[1-(aminomethyl)cyclohexyl]-(1-propan-2-ylpyrazol-4-yl)methanol
SMILESCC(C)n1cc(C(O)C2(CN)CCCCC2)cn1
InChIInChI=1S/C14H25N3O/c1-11(2)17-9-12(8-16-17)13(18)14(10-15)6-4-3-5-7-14/h8-9,11,13,18H,3-7,10,15H2,1-2H3
InChIKeyTZSRDVSDJJLESV-UHFFFAOYSA-N
XLogP2.41
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]-(1-propan-2-ylpyrazol-4-yl)methanol?
The IUPAC name of [1-(aminomethyl)cyclohexyl]-(1-propan-2-ylpyrazol-4-yl)methanol (CID 114075823) is [1-(aminomethyl)cyclohexyl]-(1-propan-2-ylpyrazol-4-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]-(1-propan-2-ylpyrazol-4-yl)methanol?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]-(1-propan-2-ylpyrazol-4-yl)methanol is CC(C)n1cc(C(O)C2(CN)CCCCC2)cn1.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]-(1-propan-2-ylpyrazol-4-yl)methanol?
The InChIKey is TZSRDVSDJJLESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)17-9-12(8-16-17)13(18)14(10-15)6-4-3-5-7-14/h8-9,11,13,18H,3-7,10,15H2,1-2H3.
What are the key properties of [1-(aminomethyl)cyclohexyl]-(1-propan-2-ylpyrazol-4-yl)methanol?
[1-(aminomethyl)cyclohexyl]-(1-propan-2-ylpyrazol-4-yl)methanol has a molecular weight of 251.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]-(1-propan-2-ylpyrazol-4-yl)methanol is sourced from PubChem (CID 114075823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).