1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea

C23H33N5O — CID 119048974

IUPAC1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea
SMILESCc1ccccc1-n1ncc(NC(=O)NC2CCN(CC3CC3)CC2)c1C(C)C
InChIInChI=1S/C23H33N5O/c1-16(2)22-20(14-24-28(22)21-7-5-4-6-17(21)3)26-23(29)25-19-10-12-27(13-11-19)15-18-8-9-18/h4-7,14,16,18-19H,8-13,15H2,1-3H3,(H2,25,26,29)
InChIKeyTZYOZIOTVGPXNW-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.30
Rot. Bonds6

About 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea

1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea (PubChem CID 119048974) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea
PubChem CID119048974
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea
SMILESCc1ccccc1-n1ncc(NC(=O)NC2CCN(CC3CC3)CC2)c1C(C)C
InChIInChI=1S/C23H33N5O/c1-16(2)22-20(14-24-28(22)21-7-5-4-6-17(21)3)26-23(29)25-19-10-12-27(13-11-19)15-18-8-9-18/h4-7,14,16,18-19H,8-13,15H2,1-3H3,(H2,25,26,29)
InChIKeyTZYOZIOTVGPXNW-UHFFFAOYSA-N
XLogP4.30
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea with MolForge

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Related Compounds

1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea
CID 119048970
N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-hydroxy-2-phenylacetamide
CID 139005711
N-methyl-1-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 166222223
3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119854205
1-(2,3-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 6470893
1-(cyclopropylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 171097073
1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea
CID 126795861
N-cyclopropyl-5-ethyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 42818270
N-[[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine
CID 66442086
1-[(2R)-butan-2-yl]-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrazole-4-carboxamide
CID 124732224
1-(1-benzylpiperidin-4-yl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 42695642
1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
CID 6468357

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea?
The IUPAC name of 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea (CID 119048974) is 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea?
The canonical SMILES for 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea is Cc1ccccc1-n1ncc(NC(=O)NC2CCN(CC3CC3)CC2)c1C(C)C.
What is the InChIKey of 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea?
The InChIKey is TZYOZIOTVGPXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-16(2)22-20(14-24-28(22)21-7-5-4-6-17(21)3)26-23(29)25-19-10-12-27(13-11-19)15-18-8-9-18/h4-7,14,16,18-19H,8-13,15H2,1-3H3,(H2,25,26,29).
What are the key properties of 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea?
1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea has a molecular weight of 395.55 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]urea is sourced from PubChem (CID 119048974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).