1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[3-(pyridin-3-ylamino)propyl]urea

C18H26N6O — CID 72843536

IUPAC1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[3-(pyridin-3-ylamino)propyl]urea
SMILESCc1cnn(C2CCCC2)c1NC(=O)NCCCNc1cccnc1
InChIInChI=1S/C18H26N6O/c1-14-12-22-24(16-7-2-3-8-16)17(14)23-18(25)21-11-5-10-20-15-6-4-9-19-13-15/h4,6,9,12-13,16,20H,2-3,5,7-8,10-11H2,1H3,(H2,21,23,25)
InChIKeyFEGAXTAXEVFKNL-UHFFFAOYSA-N
MW342.45 g/mol
LogP3.33
Rot. Bonds7

About 1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[3-(pyridin-3-ylamino)propyl]urea

1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[3-(pyridin-3-ylamino)propyl]urea (PubChem CID 72843536) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[3-(pyridin-3-ylamino)propyl]urea.

Molecular Properties

Compound Name1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[3-(pyridin-3-ylamino)propyl]urea
PubChem CID72843536
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[3-(pyridin-3-ylamino)propyl]urea
SMILESCc1cnn(C2CCCC2)c1NC(=O)NCCCNc1cccnc1
InChIInChI=1S/C18H26N6O/c1-14-12-22-24(16-7-2-3-8-16)17(14)23-18(25)21-11-5-10-20-15-6-4-9-19-13-15/h4,6,9,12-13,16,20H,2-3,5,7-8,10-11H2,1H3,(H2,21,23,25)
InChIKeyFEGAXTAXEVFKNL-UHFFFAOYSA-N
XLogP3.33
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[3-(pyridin-3-ylamino)propyl]azepane-2-carboxamide
CID 72889342
1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]urea
CID 125170165
1-(4-cyclohexylphenyl)-3-[2-(pyridin-3-ylamino)ethyl]urea
CID 72901107
1-(cyclopropanecarbonyl)-N-[3-(pyridin-3-ylamino)propyl]piperidine-2-carboxamide
CID 118775464
1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(pyridin-3-ylamino)propyl]urea
CID 72909132
1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[(2S)-2-(furan-2-ylmethyl)-3-hydroxypropyl]urea
CID 125165565
1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 74249924
1-(cyclopentylmethyl)-3-pyridin-3-ylurea
CID 47166711
1-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-3-[2-(pyridin-3-ylamino)ethyl]urea
CID 125154948
1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[2-(pyridin-3-ylamino)ethyl]urea
CID 118767577
1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea
CID 15665739
5-methyl-1-propyl-N-[3-(pyridin-3-ylamino)propyl]pyrazole-4-carboxamide
CID 72864277

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[3-(pyridin-3-ylamino)propyl]urea?
The IUPAC name of 1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[3-(pyridin-3-ylamino)propyl]urea (CID 72843536) is 1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[3-(pyridin-3-ylamino)propyl]urea.
What is the SMILES notation for 1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[3-(pyridin-3-ylamino)propyl]urea?
The canonical SMILES for 1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[3-(pyridin-3-ylamino)propyl]urea is Cc1cnn(C2CCCC2)c1NC(=O)NCCCNc1cccnc1.
What is the InChIKey of 1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[3-(pyridin-3-ylamino)propyl]urea?
The InChIKey is FEGAXTAXEVFKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-14-12-22-24(16-7-2-3-8-16)17(14)23-18(25)21-11-5-10-20-15-6-4-9-19-13-15/h4,6,9,12-13,16,20H,2-3,5,7-8,10-11H2,1H3,(H2,21,23,25).
What are the key properties of 1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[3-(pyridin-3-ylamino)propyl]urea?
1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[3-(pyridin-3-ylamino)propyl]urea has a molecular weight of 342.45 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[3-(pyridin-3-ylamino)propyl]urea is sourced from PubChem (CID 72843536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).