butyl N-[4-(5-hydroxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]carbamate

C14H19N5O3 — CID 139312701

IUPACbutyl N-[4-(5-hydroxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]carbamate
SMILESCCCCOC(=O)Nc1c(-c2ncc(O)c(C)n2)cnn1C
InChIInChI=1S/C14H19N5O3/c1-4-5-6-22-14(21)18-13-10(7-16-19(13)3)12-15-8-11(20)9(2)17-12/h7-8,20H,4-6H2,1-3H3,(H,18,21)
InChIKeyMUSSCVHJOBDZKE-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.24
Rot. Bonds5

About butyl N-[4-(5-hydroxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]carbamate

butyl N-[4-(5-hydroxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]carbamate (PubChem CID 139312701) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is butyl N-[4-(5-hydroxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Namebutyl N-[4-(5-hydroxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]carbamate
PubChem CID139312701
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Namebutyl N-[4-(5-hydroxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]carbamate
SMILESCCCCOC(=O)Nc1c(-c2ncc(O)c(C)n2)cnn1C
InChIInChI=1S/C14H19N5O3/c1-4-5-6-22-14(21)18-13-10(7-16-19(13)3)12-15-8-11(20)9(2)17-12/h7-8,20H,4-6H2,1-3H3,(H,18,21)
InChIKeyMUSSCVHJOBDZKE-UHFFFAOYSA-N
XLogP2.24
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl N-[4-(5-hydroxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]carbamate 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

2-chloroethyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate
CID 108737063
2-(5-butoxy-1-methylpyrazol-4-yl)-4-methylpyrimidine
CID 171498141
butyl N-[3-(trifluoromethyl)pyrazin-2-yl]carbamate
CID 138494618
ethyl 5-(butoxycarbonylamino)-1-quinolin-2-ylpyrazole-4-carboxylate
CID 108746956
butyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate
CID 11311488
butyl N-[4,5-di(cyclobutyl)-2-methylpyrazol-3-yl]carbamate
CID 176835402
4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911
butyl N-(2,6-diethylphenyl)carbamate
CID 19174090
octyl 4-amino-1-methylpyrazole-5-carboxylate
CID 65357273
butyl N-(4-cyclobutyl-5-cyclopentyl-2-methylpyrazol-3-yl)carbamate
CID 176835406
butyl N-[4-[4-(butoxycarbonylamino)phenyl]phenyl]carbamate
CID 70896336
butyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746083

Frequently Asked Questions

What is the IUPAC name of butyl N-[4-(5-hydroxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]carbamate?
The IUPAC name of butyl N-[4-(5-hydroxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]carbamate (CID 139312701) is butyl N-[4-(5-hydroxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]carbamate.
What is the SMILES notation for butyl N-[4-(5-hydroxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]carbamate?
The canonical SMILES for butyl N-[4-(5-hydroxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]carbamate is CCCCOC(=O)Nc1c(-c2ncc(O)c(C)n2)cnn1C.
What is the InChIKey of butyl N-[4-(5-hydroxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]carbamate?
The InChIKey is MUSSCVHJOBDZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-4-5-6-22-14(21)18-13-10(7-16-19(13)3)12-15-8-11(20)9(2)17-12/h7-8,20H,4-6H2,1-3H3,(H,18,21).
What are the key properties of butyl N-[4-(5-hydroxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]carbamate?
butyl N-[4-(5-hydroxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]carbamate has a molecular weight of 305.34 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[4-(5-hydroxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]carbamate is sourced from PubChem (CID 139312701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).