2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-propan-2-ylcyclohexan-1-ol

C15H27N3O — CID 62704131

IUPAC2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(N(C)Cc2cnn(C)c2)C1
InChIInChI=1S/C15H27N3O/c1-11(2)13-5-6-15(19)14(7-13)17(3)9-12-8-16-18(4)10-12/h8,10-11,13-15,19H,5-7,9H2,1-4H3
InChIKeySWFDNKLQIMLWNK-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.04
Rot. Bonds4

About 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-propan-2-ylcyclohexan-1-ol

2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 62704131) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-propan-2-ylcyclohexan-1-ol
PubChem CID62704131
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(N(C)Cc2cnn(C)c2)C1
InChIInChI=1S/C15H27N3O/c1-11(2)13-5-6-15(19)14(7-13)17(3)9-12-8-16-18(4)10-12/h8,10-11,13-15,19H,5-7,9H2,1-4H3
InChIKeySWFDNKLQIMLWNK-UHFFFAOYSA-N
XLogP2.04
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-propan-2-ylcyclohexan-1-ol (CID 62704131) is 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)C(N(C)Cc2cnn(C)c2)C1.
What is the InChIKey of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is SWFDNKLQIMLWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11(2)13-5-6-15(19)14(7-13)17(3)9-12-8-16-18(4)10-12/h8,10-11,13-15,19H,5-7,9H2,1-4H3.
What are the key properties of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-propan-2-ylcyclohexan-1-ol?
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 62704131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).