[3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea

C19H25N5O2 — CID 56738385

IUPAC[3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea
SMILESCc1cccc(-c2cn[nH]c2C2CCN(C(=O)CCNC(N)=O)CC2)c1
InChIInChI=1S/C19H25N5O2/c1-13-3-2-4-15(11-13)16-12-22-23-18(16)14-6-9-24(10-7-14)17(25)5-8-21-19(20)26/h2-4,11-12,14H,5-10H2,1H3,(H,22,23)(H3,20,21,26)
InChIKeyIUCQNBSAQYBMKB-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.15
Rot. Bonds5

About [3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea

[3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea (PubChem CID 56738385) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is [3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea.

Molecular Properties

Compound Name[3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea
PubChem CID56738385
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name[3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea
SMILESCc1cccc(-c2cn[nH]c2C2CCN(C(=O)CCNC(N)=O)CC2)c1
InChIInChI=1S/C19H25N5O2/c1-13-3-2-4-15(11-13)16-12-22-23-18(16)14-6-9-24(10-7-14)17(25)5-8-21-19(20)26/h2-4,11-12,14H,5-10H2,1H3,(H,22,23)(H3,20,21,26)
InChIKeyIUCQNBSAQYBMKB-UHFFFAOYSA-N
XLogP2.15
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 56754651
2-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]acetic acid
CID 56741273
[1-(methoxymethyl)cyclobutyl]-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 70769822
3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 56759715
1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 56720943
N-[3-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]acetamide
CID 70731856
1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70706767
2-methoxy-6-[[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol
CID 42431673
6-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine
CID 56711059
(2-hydroxy-4-methylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56752151
[3-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea
CID 56716669
4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]-1-[[(3S)-oxolan-3-yl]methyl]piperidine
CID 95202871

Frequently Asked Questions

What is the IUPAC name of [3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea?
The IUPAC name of [3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea (CID 56738385) is [3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea.
What is the SMILES notation for [3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea?
The canonical SMILES for [3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea is Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)CCNC(N)=O)CC2)c1.
What is the InChIKey of [3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea?
The InChIKey is IUCQNBSAQYBMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13-3-2-4-15(11-13)16-12-22-23-18(16)14-6-9-24(10-7-14)17(25)5-8-21-19(20)26/h2-4,11-12,14H,5-10H2,1H3,(H,22,23)(H3,20,21,26).
What are the key properties of [3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea?
[3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea has a molecular weight of 355.44 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea is sourced from PubChem (CID 56738385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).