[1-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-4-methylcyclohexyl]methanol

C14H26N4O — CID 66014034

IUPAC[1-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-4-methylcyclohexyl]methanol
SMILESCCc1nn(C)c(NC2(CO)CCC(C)CC2)c1N
InChIInChI=1S/C14H26N4O/c1-4-11-12(15)13(18(3)17-11)16-14(9-19)7-5-10(2)6-8-14/h10,16,19H,4-9,15H2,1-3H3
InChIKeyCDJOWKJDOQHFNR-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.92
Rot. Bonds4

About [1-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-4-methylcyclohexyl]methanol

[1-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-4-methylcyclohexyl]methanol (PubChem CID 66014034) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is [1-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-4-methylcyclohexyl]methanol
PubChem CID66014034
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name[1-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-4-methylcyclohexyl]methanol
SMILESCCc1nn(C)c(NC2(CO)CCC(C)CC2)c1N
InChIInChI=1S/C14H26N4O/c1-4-11-12(15)13(18(3)17-11)16-14(9-19)7-5-10(2)6-8-14/h10,16,19H,4-9,15H2,1-3H3
InChIKeyCDJOWKJDOQHFNR-UHFFFAOYSA-N
XLogP1.92
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-4-methylcyclohexyl]methanol?
The IUPAC name of [1-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-4-methylcyclohexyl]methanol (CID 66014034) is [1-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-4-methylcyclohexyl]methanol is CCc1nn(C)c(NC2(CO)CCC(C)CC2)c1N.
What is the InChIKey of [1-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-4-methylcyclohexyl]methanol?
The InChIKey is CDJOWKJDOQHFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-11-12(15)13(18(3)17-11)16-14(9-19)7-5-10(2)6-8-14/h10,16,19H,4-9,15H2,1-3H3.
What are the key properties of [1-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-4-methylcyclohexyl]methanol?
[1-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-4-methylcyclohexyl]methanol has a molecular weight of 266.39 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-4-methylcyclohexyl]methanol is sourced from PubChem (CID 66014034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).