1-methyl-1-[(2S)-2-methylbutyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea

C17H24N4O — CID 97212409

IUPAC1-methyl-1-[(2S)-2-methylbutyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea
SMILESCC[C@H](C)CN(C)C(=O)NCc1ccccc1-n1cccn1
InChIInChI=1S/C17H24N4O/c1-4-14(2)13-20(3)17(22)18-12-15-8-5-6-9-16(15)21-11-7-10-19-21/h5-11,14H,4,12-13H2,1-3H3,(H,18,22)/t14-/m0/s1
InChIKeyUSUZXCIEBBFJKL-AWEZNQCLSA-N
MW300.41 g/mol
LogP3.06
Rot. Bonds6

About 1-methyl-1-[(2S)-2-methylbutyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea

1-methyl-1-[(2S)-2-methylbutyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea (PubChem CID 97212409) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-methyl-1-[(2S)-2-methylbutyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-methyl-1-[(2S)-2-methylbutyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea
PubChem CID97212409
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-methyl-1-[(2S)-2-methylbutyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea
SMILESCC[C@H](C)CN(C)C(=O)NCc1ccccc1-n1cccn1
InChIInChI=1S/C17H24N4O/c1-4-14(2)13-20(3)17(22)18-12-15-8-5-6-9-16(15)21-11-7-10-19-21/h5-11,14H,4,12-13H2,1-3H3,(H,18,22)/t14-/m0/s1
InChIKeyUSUZXCIEBBFJKL-AWEZNQCLSA-N
XLogP3.06
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 62854534
4-amino-3-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 81087122
3-(aminomethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide
CID 81083953
2-(azetidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
CID 116677047
tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate
CID 63789237
2-amino-3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
CID 81089680
2-amino-2-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide
CID 61165757
N-methyl-2-pyrazol-1-yl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 72923212
6-(dimethylamino)-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 51095820
4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 61166353
N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]hydroxylamine
CID 82608522
methyl 2-[(2-pyrazol-1-ylphenyl)methylamino]acetate
CID 61167303

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(2S)-2-methylbutyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea?
The IUPAC name of 1-methyl-1-[(2S)-2-methylbutyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea (CID 97212409) is 1-methyl-1-[(2S)-2-methylbutyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-methyl-1-[(2S)-2-methylbutyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-methyl-1-[(2S)-2-methylbutyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea is CC[C@H](C)CN(C)C(=O)NCc1ccccc1-n1cccn1.
What is the InChIKey of 1-methyl-1-[(2S)-2-methylbutyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea?
The InChIKey is USUZXCIEBBFJKL-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N4O/c1-4-14(2)13-20(3)17(22)18-12-15-8-5-6-9-16(15)21-11-7-10-19-21/h5-11,14H,4,12-13H2,1-3H3,(H,18,22)/t14-/m0/s1.
What are the key properties of 1-methyl-1-[(2S)-2-methylbutyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea?
1-methyl-1-[(2S)-2-methylbutyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea has a molecular weight of 300.41 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(2S)-2-methylbutyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea is sourced from PubChem (CID 97212409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).