3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]butanamide

C17H27N3O2 — CID 110011776

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]butanamide
SMILESCc1n[nH]c(C)c1C(C)CC(=O)NC1C2CCC(C2)C1CO
InChIInChI=1S/C17H27N3O2/c1-9(16-10(2)19-20-11(16)3)6-15(22)18-17-13-5-4-12(7-13)14(17)8-21/h9,12-14,17,21H,4-8H2,1-3H3,(H,18,22)(H,19,20)
InChIKeyWZUPXBKNTUPHIP-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.04
Rot. Bonds5

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]butanamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]butanamide (PubChem CID 110011776) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]butanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]butanamide
PubChem CID110011776
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]butanamide
SMILESCc1n[nH]c(C)c1C(C)CC(=O)NC1C2CCC(C2)C1CO
InChIInChI=1S/C17H27N3O2/c1-9(16-10(2)19-20-11(16)3)6-15(22)18-17-13-5-4-12(7-13)14(17)8-21/h9,12-14,17,21H,4-8H2,1-3H3,(H,18,22)(H,19,20)
InChIKeyWZUPXBKNTUPHIP-UHFFFAOYSA-N
XLogP2.04
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]butanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]butanamide (CID 110011776) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]butanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]butanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]butanamide is Cc1n[nH]c(C)c1C(C)CC(=O)NC1C2CCC(C2)C1CO.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]butanamide?
The InChIKey is WZUPXBKNTUPHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-9(16-10(2)19-20-11(16)3)6-15(22)18-17-13-5-4-12(7-13)14(17)8-21/h9,12-14,17,21H,4-8H2,1-3H3,(H,18,22)(H,19,20).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]butanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]butanamide has a molecular weight of 305.42 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]butanamide is sourced from PubChem (CID 110011776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).