1-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C19H33N5O — CID 125157498

IUPAC1-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCc1cc(NC(=O)NC2CC(C)(C)NC(C)(C)C2)n([C@@H](C)C2CC2)n1
InChIInChI=1S/C19H33N5O/c1-12-9-16(24(22-12)13(2)14-7-8-14)21-17(25)20-15-10-18(3,4)23-19(5,6)11-15/h9,13-15,23H,7-8,10-11H2,1-6H3,(H2,20,21,25)/t13-/m0/s1
InChIKeyPZNRUDHSVHXRLL-ZDUSSCGKSA-N
MW347.51 g/mol
LogP3.59
Rot. Bonds4

About 1-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 125157498) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is 1-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID125157498
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name1-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCc1cc(NC(=O)NC2CC(C)(C)NC(C)(C)C2)n([C@@H](C)C2CC2)n1
InChIInChI=1S/C19H33N5O/c1-12-9-16(24(22-12)13(2)14-7-8-14)21-17(25)20-15-10-18(3,4)23-19(5,6)11-15/h9,13-15,23H,7-8,10-11H2,1-6H3,(H2,20,21,25)/t13-/m0/s1
InChIKeyPZNRUDHSVHXRLL-ZDUSSCGKSA-N
XLogP3.59
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-Adamantyl)-3-(5-methyl-1-propyl-pyrazol-3-yl)urea
CID 71602998
1-(2-Adamantyl)-3-(5-methyl-1-propyl-pyrazol-3-yl)urea
CID 71603119
1-(1-Adamantyl)-3-(1-ethyl-5-methyl-pyrazol-3-yl)urea
CID 71602997
1-(2-Adamantyl)-3-(1-ethyl-5-methyl-pyrazol-3-yl)urea
CID 71603118
1-(2,5-Dimethylpyrazol-3-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea
CID 51080221
N-(2,5-Dimethylpyrazol-3-YL)-2,4-dimethylpiperazine-1-carboxamide
CID 71877042
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide
CID 71877055
1-(2,5-Dimethylpyrazol-3-yl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
CID 45821171
1-(1-Cyclopropylethyl)-3-(2,5-dimethylpyrazol-3-yl)urea
CID 45821194
1-(1-Cyclopropylpiperidin-4-yl)-3-(2,5-dimethylpyrazol-3-yl)urea
CID 45821227
1-(2,5-Dimethylpyrazol-3-yl)-3-[(1-ethylpiperidin-3-yl)methyl]urea
CID 47086100
1-Cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)urea
CID 47198275

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 125157498) is 1-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is Cc1cc(NC(=O)NC2CC(C)(C)NC(C)(C)C2)n([C@@H](C)C2CC2)n1.
What is the InChIKey of 1-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is PZNRUDHSVHXRLL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H33N5O/c1-12-9-16(24(22-12)13(2)14-7-8-14)21-17(25)20-15-10-18(3,4)23-19(5,6)11-15/h9,13-15,23H,7-8,10-11H2,1-6H3,(H2,20,21,25)/t13-/m0/s1.
What are the key properties of 1-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 347.51 g/mol, XLogP of 3.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 125157498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).