ethyl N-[2-methyl-3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]carbamate

C17H22N4O3 — CID 86822321

IUPACethyl N-[2-methyl-3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]carbamate
SMILESCCCc1cc(C(=O)Nc2cccc(NC(=O)OCC)c2C)n[nH]1
InChIInChI=1S/C17H22N4O3/c1-4-7-12-10-15(21-20-12)16(22)18-13-8-6-9-14(11(13)3)19-17(23)24-5-2/h6,8-10H,4-5,7H2,1-3H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeyXWQNUPXPLHYJFL-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.49
Rot. Bonds6

About ethyl N-[2-methyl-3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]carbamate

ethyl N-[2-methyl-3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]carbamate (PubChem CID 86822321) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is ethyl N-[2-methyl-3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-methyl-3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]carbamate
PubChem CID86822321
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Nameethyl N-[2-methyl-3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]carbamate
SMILESCCCc1cc(C(=O)Nc2cccc(NC(=O)OCC)c2C)n[nH]1
InChIInChI=1S/C17H22N4O3/c1-4-7-12-10-15(21-20-12)16(22)18-13-8-6-9-14(11(13)3)19-17(23)24-5-2/h6,8-10H,4-5,7H2,1-3H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeyXWQNUPXPLHYJFL-UHFFFAOYSA-N
XLogP3.49
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-methyl-3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]carbamate?
The IUPAC name of ethyl N-[2-methyl-3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]carbamate (CID 86822321) is ethyl N-[2-methyl-3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-methyl-3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[2-methyl-3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]carbamate is CCCc1cc(C(=O)Nc2cccc(NC(=O)OCC)c2C)n[nH]1.
What is the InChIKey of ethyl N-[2-methyl-3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]carbamate?
The InChIKey is XWQNUPXPLHYJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-4-7-12-10-15(21-20-12)16(22)18-13-8-6-9-14(11(13)3)19-17(23)24-5-2/h6,8-10H,4-5,7H2,1-3H3,(H,18,22)(H,19,23)(H,20,21).
What are the key properties of ethyl N-[2-methyl-3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]carbamate?
ethyl N-[2-methyl-3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]carbamate has a molecular weight of 330.39 g/mol, XLogP of 3.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-methyl-3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]carbamate is sourced from PubChem (CID 86822321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).