1-(1-benzylpyrazol-3-yl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]urea

C24H29N5O — CID 78893548

IUPAC1-(1-benzylpyrazol-3-yl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(CN2CCCCC2)cc1)Nc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C24H29N5O/c30-24(26-23-13-16-29(27-23)19-21-7-3-1-4-8-21)25-17-20-9-11-22(12-10-20)18-28-14-5-2-6-15-28/h1,3-4,7-13,16H,2,5-6,14-15,17-19H2,(H2,25,26,27,30)
InChIKeyNTLVEQCJRSAPSK-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.24
Rot. Bonds7

About 1-(1-benzylpyrazol-3-yl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]urea

1-(1-benzylpyrazol-3-yl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]urea (PubChem CID 78893548) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 1-(1-benzylpyrazol-3-yl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(1-benzylpyrazol-3-yl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]urea
PubChem CID78893548
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name1-(1-benzylpyrazol-3-yl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(CN2CCCCC2)cc1)Nc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C24H29N5O/c30-24(26-23-13-16-29(27-23)19-21-7-3-1-4-8-21)25-17-20-9-11-22(12-10-20)18-28-14-5-2-6-15-28/h1,3-4,7-13,16H,2,5-6,14-15,17-19H2,(H2,25,26,27,30)
InChIKeyNTLVEQCJRSAPSK-UHFFFAOYSA-N
XLogP4.24
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzylpyrazol-3-yl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]urea with MolForge

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Related Compounds

1-(pyridin-3-ylmethyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
CID 60615939
1-(1-benzylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94182642
1-(1-benzylpyrazol-3-yl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86842153
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 166209972
N-(1-benzylpyrazol-3-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014338
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 18119444
N-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide
CID 47066196
1-(1-benzylpyrazol-3-yl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 111103626
(2R)-N-benzyl-6-[4-(piperidin-1-ylmethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42210163
N-benzyl-1-phenylmethanamine;1-benzylpiperidine
CID 123620397
N-(1-benzylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959265

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrazol-3-yl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-(1-benzylpyrazol-3-yl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]urea (CID 78893548) is 1-(1-benzylpyrazol-3-yl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(1-benzylpyrazol-3-yl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(1-benzylpyrazol-3-yl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]urea is O=C(NCc1ccc(CN2CCCCC2)cc1)Nc1ccn(Cc2ccccc2)n1.
What is the InChIKey of 1-(1-benzylpyrazol-3-yl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]urea?
The InChIKey is NTLVEQCJRSAPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c30-24(26-23-13-16-29(27-23)19-21-7-3-1-4-8-21)25-17-20-9-11-22(12-10-20)18-28-14-5-2-6-15-28/h1,3-4,7-13,16H,2,5-6,14-15,17-19H2,(H2,25,26,27,30).
What are the key properties of 1-(1-benzylpyrazol-3-yl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]urea?
1-(1-benzylpyrazol-3-yl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]urea has a molecular weight of 403.53 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrazol-3-yl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 78893548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).