1-(1-cyclopropylpiperidin-4-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea

C19H25N5O — CID 86988645

IUPAC1-(1-cyclopropylpiperidin-4-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
SMILESO=C(Nc1cccc(Cn2cccn2)c1)NC1CCN(C2CC2)CC1
InChIInChI=1S/C19H25N5O/c25-19(21-16-7-11-23(12-8-16)18-5-6-18)22-17-4-1-3-15(13-17)14-24-10-2-9-20-24/h1-4,9-10,13,16,18H,5-8,11-12,14H2,(H2,21,22,25)
InChIKeyWDCCZJNQNXXBCN-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.68
Rot. Bonds5

About 1-(1-cyclopropylpiperidin-4-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea

1-(1-cyclopropylpiperidin-4-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea (PubChem CID 86988645) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(1-cyclopropylpiperidin-4-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-(1-cyclopropylpiperidin-4-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
PubChem CID86988645
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-(1-cyclopropylpiperidin-4-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
SMILESO=C(Nc1cccc(Cn2cccn2)c1)NC1CCN(C2CC2)CC1
InChIInChI=1S/C19H25N5O/c25-19(21-16-7-11-23(12-8-16)18-5-6-18)22-17-4-1-3-15(13-17)14-24-10-2-9-20-24/h1-4,9-10,13,16,18H,5-8,11-12,14H2,(H2,21,22,25)
InChIKeyWDCCZJNQNXXBCN-UHFFFAOYSA-N
XLogP2.68
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 56796288
(3R)-3-hydroxy-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111431314
1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 60591547
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111631446
(1R,4S)-N-[3-(pyrazol-1-ylmethyl)phenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 94653102
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111976294
N-[3-(pyrazol-1-ylmethyl)phenyl]oxane-4-carboxamide
CID 39190126
3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111443078
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide
CID 34688755
N-(1-methylsulfonylpiperidin-4-yl)-3-(pyrazol-1-ylmethyl)benzamide
CID 70748260
1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 166181142

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea?
The IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea (CID 86988645) is 1-(1-cyclopropylpiperidin-4-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-(1-cyclopropylpiperidin-4-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea?
The canonical SMILES for 1-(1-cyclopropylpiperidin-4-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea is O=C(Nc1cccc(Cn2cccn2)c1)NC1CCN(C2CC2)CC1.
What is the InChIKey of 1-(1-cyclopropylpiperidin-4-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea?
The InChIKey is WDCCZJNQNXXBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c25-19(21-16-7-11-23(12-8-16)18-5-6-18)22-17-4-1-3-15(13-17)14-24-10-2-9-20-24/h1-4,9-10,13,16,18H,5-8,11-12,14H2,(H2,21,22,25).
What are the key properties of 1-(1-cyclopropylpiperidin-4-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea?
1-(1-cyclopropylpiperidin-4-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea has a molecular weight of 339.44 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpiperidin-4-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea is sourced from PubChem (CID 86988645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).