butyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate

C19H26N4O3 — CID 108746083

IUPACbutyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
SMILESCCCCOC(=O)Nc1c(C(=O)N(CC)CC)cnn1-c1ccccc1
InChIInChI=1S/C19H26N4O3/c1-4-7-13-26-19(25)21-17-16(18(24)22(5-2)6-3)14-20-23(17)15-11-9-8-10-12-15/h8-12,14H,4-7,13H2,1-3H3,(H,21,25)
InChIKeyVAFLQZYROHKXBV-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.70
Rot. Bonds8

About butyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate

butyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate (PubChem CID 108746083) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is butyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Namebutyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
PubChem CID108746083
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Namebutyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
SMILESCCCCOC(=O)Nc1c(C(=O)N(CC)CC)cnn1-c1ccccc1
InChIInChI=1S/C19H26N4O3/c1-4-7-13-26-19(25)21-17-16(18(24)22(5-2)6-3)14-20-23(17)15-11-9-8-10-12-15/h8-12,14H,4-7,13H2,1-3H3,(H,21,25)
InChIKeyVAFLQZYROHKXBV-UHFFFAOYSA-N
XLogP3.70
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746081
2-ethylhexyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746086
N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide
CID 108746073
5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108746029
N,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide
CID 108768330
N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide
CID 108746061
N,N-diethyl-5-[(5-oxo-5-phenylpentanoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746111
N,N-diethyl-5-[(5-methylfuran-2-carbonyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746142
5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108768336
5-[(5-bromofuran-2-carbonyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108768353
N,N-diethyl-1-phenyl-5-[(4-propan-2-ylbenzoyl)amino]pyrazole-4-carboxamide
CID 108746075
N,N-diethyl-1-phenyl-5-propan-2-ylpyrazole-4-carboxamide
CID 11403408

Frequently Asked Questions

What is the IUPAC name of butyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate?
The IUPAC name of butyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate (CID 108746083) is butyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate.
What is the SMILES notation for butyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate?
The canonical SMILES for butyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate is CCCCOC(=O)Nc1c(C(=O)N(CC)CC)cnn1-c1ccccc1.
What is the InChIKey of butyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate?
The InChIKey is VAFLQZYROHKXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-4-7-13-26-19(25)21-17-16(18(24)22(5-2)6-3)14-20-23(17)15-11-9-8-10-12-15/h8-12,14H,4-7,13H2,1-3H3,(H,21,25).
What are the key properties of butyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate?
butyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate has a molecular weight of 358.44 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate is sourced from PubChem (CID 108746083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).