N-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide

C14H23N3O2 — CID 74235651

IUPACN-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide
SMILESCn1nccc1CCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C14H23N3O2/c1-17-12(7-10-16-17)5-6-13(18)15-11-14(19)8-3-2-4-9-14/h7,10,19H,2-6,8-9,11H2,1H3,(H,15,18)
InChIKeyUZHKCDCEAYCSPW-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.16
Rot. Bonds5

About N-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide

N-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide (PubChem CID 74235651) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide
PubChem CID74235651
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide
SMILESCn1nccc1CCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C14H23N3O2/c1-17-12(7-10-16-17)5-6-13(18)15-11-14(19)8-3-2-4-9-14/h7,10,19H,2-6,8-9,11H2,1H3,(H,15,18)
InChIKeyUZHKCDCEAYCSPW-UHFFFAOYSA-N
XLogP1.16
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide (CID 74235651) is N-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide is Cn1nccc1CCC(=O)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide?
The InChIKey is UZHKCDCEAYCSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-17-12(7-10-16-17)5-6-13(18)15-11-14(19)8-3-2-4-9-14/h7,10,19H,2-6,8-9,11H2,1H3,(H,15,18).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide?
N-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide has a molecular weight of 265.36 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 74235651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).