[4-(5-cyclohexyloxy-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-butyl-N-methylcarbamate

C22H32N4O3 — CID 175877099

IUPAC[4-(5-cyclohexyloxy-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-butyl-N-methylcarbamate
SMILESCCCCN(C)C(=O)OCc1c(-c2ccc(OC3CCCCC3)cn2)cnn1C
InChIInChI=1S/C22H32N4O3/c1-4-5-13-25(2)22(27)28-16-21-19(15-24-26(21)3)20-12-11-18(14-23-20)29-17-9-7-6-8-10-17/h11-12,14-15,17H,4-10,13,16H2,1-3H3
InChIKeyYLJUYLWECNQOTN-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.56
Rot. Bonds8

About [4-(5-cyclohexyloxy-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-butyl-N-methylcarbamate

[4-(5-cyclohexyloxy-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-butyl-N-methylcarbamate (PubChem CID 175877099) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is [4-(5-cyclohexyloxy-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-butyl-N-methylcarbamate.

Molecular Properties

Compound Name[4-(5-cyclohexyloxy-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-butyl-N-methylcarbamate
PubChem CID175877099
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name[4-(5-cyclohexyloxy-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-butyl-N-methylcarbamate
SMILESCCCCN(C)C(=O)OCc1c(-c2ccc(OC3CCCCC3)cn2)cnn1C
InChIInChI=1S/C22H32N4O3/c1-4-5-13-25(2)22(27)28-16-21-19(15-24-26(21)3)20-12-11-18(14-23-20)29-17-9-7-6-8-10-17/h11-12,14-15,17H,4-10,13,16H2,1-3H3
InChIKeyYLJUYLWECNQOTN-UHFFFAOYSA-N
XLogP4.56
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(5-cyclohexyloxy-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-butyl-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]-2,3,4,5-Tetrahydropyrido[2,3-F][1,4]oxazepine
CID 57382553
Cyp4A11/cyp4F2-IN-2
CID 130360508
Jnj-42259152
CID 51353528
(NE)-N-[[6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-3-yl]methylidene]hydroxylamine
CID 137633863
(5R)-3-((6-(1-cyclohexylethoxy)pyridin-3-yl)methyl)-5-methyloxazolidin-2-one
CID 44591712
2-Ethoxy-6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine
CID 53465400
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3,4,5-trimethylpyridine
CID 53465404
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-methoxypyridine
CID 53466370
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine
CID 53466372
2-[[4-[1-(3-Fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine
CID 53466374
5-Methoxy-2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]pyridine
CID 53466375
3-Methoxy-2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]pyridine
CID 53466457

Frequently Asked Questions

What is the IUPAC name of [4-(5-cyclohexyloxy-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-butyl-N-methylcarbamate?
The IUPAC name of [4-(5-cyclohexyloxy-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-butyl-N-methylcarbamate (CID 175877099) is [4-(5-cyclohexyloxy-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-butyl-N-methylcarbamate.
What is the SMILES notation for [4-(5-cyclohexyloxy-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-butyl-N-methylcarbamate?
The canonical SMILES for [4-(5-cyclohexyloxy-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-butyl-N-methylcarbamate is CCCCN(C)C(=O)OCc1c(-c2ccc(OC3CCCCC3)cn2)cnn1C.
What is the InChIKey of [4-(5-cyclohexyloxy-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-butyl-N-methylcarbamate?
The InChIKey is YLJUYLWECNQOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-4-5-13-25(2)22(27)28-16-21-19(15-24-26(21)3)20-12-11-18(14-23-20)29-17-9-7-6-8-10-17/h11-12,14-15,17H,4-10,13,16H2,1-3H3.
What are the key properties of [4-(5-cyclohexyloxy-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-butyl-N-methylcarbamate?
[4-(5-cyclohexyloxy-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-butyl-N-methylcarbamate has a molecular weight of 400.52 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-cyclohexyloxy-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-butyl-N-methylcarbamate is sourced from PubChem (CID 175877099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).