1-(3-pyrazol-1-ylpropyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

C15H24N6O — CID 86931524

IUPAC1-(3-pyrazol-1-ylpropyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCc1nn(C)c(C)c1CCNC(=O)NCCCn1cccn1
InChIInChI=1S/C15H24N6O/c1-12-14(13(2)20(3)19-12)6-9-17-15(22)16-7-4-10-21-11-5-8-18-21/h5,8,11H,4,6-7,9-10H2,1-3H3,(H2,16,17,22)
InChIKeyWACAZQCDDCPJTI-UHFFFAOYSA-N
MW304.40 g/mol
LogP1.17
Rot. Bonds7

About 1-(3-pyrazol-1-ylpropyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

1-(3-pyrazol-1-ylpropyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (PubChem CID 86931524) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 1-(3-pyrazol-1-ylpropyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-pyrazol-1-ylpropyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
PubChem CID86931524
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name1-(3-pyrazol-1-ylpropyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCc1nn(C)c(C)c1CCNC(=O)NCCCn1cccn1
InChIInChI=1S/C15H24N6O/c1-12-14(13(2)20(3)19-12)6-9-17-15(22)16-7-4-10-21-11-5-8-18-21/h5,8,11H,4,6-7,9-10H2,1-3H3,(H2,16,17,22)
InChIKeyWACAZQCDDCPJTI-UHFFFAOYSA-N
XLogP1.17
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxybutyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 111337217
1-propan-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 110747749
1-(3-hydroxy-4-methylpentyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 111504916
N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pentanamide
CID 86930102
2-hydroxy-3-(3-pyrazol-1-ylpropylcarbamoylamino)propanoic acid
CID 113413056
2,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 87025021
3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 110460217
1-(3-pyrazol-1-ylpropyl)-3-(2,2,2-trifluoroethyl)urea
CID 113223590
1-(2-hydroxypentyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 111337992
1-[(3-methoxyphenyl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 38234356
2,2,2-trifluoro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 110443234
2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86768025

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrazol-1-ylpropyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-(3-pyrazol-1-ylpropyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (CID 86931524) is 1-(3-pyrazol-1-ylpropyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(3-pyrazol-1-ylpropyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(3-pyrazol-1-ylpropyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is Cc1nn(C)c(C)c1CCNC(=O)NCCCn1cccn1.
What is the InChIKey of 1-(3-pyrazol-1-ylpropyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The InChIKey is WACAZQCDDCPJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-12-14(13(2)20(3)19-12)6-9-17-15(22)16-7-4-10-21-11-5-8-18-21/h5,8,11H,4,6-7,9-10H2,1-3H3,(H2,16,17,22).
What are the key properties of 1-(3-pyrazol-1-ylpropyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
1-(3-pyrazol-1-ylpropyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea has a molecular weight of 304.40 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrazol-1-ylpropyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 86931524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).