1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[3-(1H-imidazol-2-yl)propyl]urea

C19H24N6O — CID 118780034

IUPAC1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[3-(1H-imidazol-2-yl)propyl]urea
SMILESCc1cc(C)n(Cc2ccc(NC(=O)NCCCc3ncc[nH]3)cc2)n1
InChIInChI=1S/C19H24N6O/c1-14-12-15(2)25(24-14)13-16-5-7-17(8-6-16)23-19(26)22-9-3-4-18-20-10-11-21-18/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,20,21)(H2,22,23,26)
InChIKeyDLSZFGRVPPWKGN-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.03
Rot. Bonds7

About 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[3-(1H-imidazol-2-yl)propyl]urea

1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[3-(1H-imidazol-2-yl)propyl]urea (PubChem CID 118780034) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[3-(1H-imidazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[3-(1H-imidazol-2-yl)propyl]urea
PubChem CID118780034
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[3-(1H-imidazol-2-yl)propyl]urea
SMILESCc1cc(C)n(Cc2ccc(NC(=O)NCCCc3ncc[nH]3)cc2)n1
InChIInChI=1S/C19H24N6O/c1-14-12-15(2)25(24-14)13-16-5-7-17(8-6-16)23-19(26)22-9-3-4-18-20-10-11-21-18/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,20,21)(H2,22,23,26)
InChIKeyDLSZFGRVPPWKGN-UHFFFAOYSA-N
XLogP3.03
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butan-2-ylphenyl)-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 74234942
1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
CID 35766516
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea
CID 97443871
1-(4-tert-butylphenyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 166207403
1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 118773109
1-[4-(2-amino-1,3-thiazol-5-yl)phenyl]-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 87708424
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea
CID 72907928
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea
CID 72898179
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide
CID 49016835
N-(3-anilino-3-oxopropyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 131903962
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[2-(furan-2-ylmethyl)-3-hydroxypropyl]urea
CID 72886953
1-benzyl-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 107653232

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[3-(1H-imidazol-2-yl)propyl]urea?
The IUPAC name of 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[3-(1H-imidazol-2-yl)propyl]urea (CID 118780034) is 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[3-(1H-imidazol-2-yl)propyl]urea.
What is the SMILES notation for 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[3-(1H-imidazol-2-yl)propyl]urea?
The canonical SMILES for 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[3-(1H-imidazol-2-yl)propyl]urea is Cc1cc(C)n(Cc2ccc(NC(=O)NCCCc3ncc[nH]3)cc2)n1.
What is the InChIKey of 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[3-(1H-imidazol-2-yl)propyl]urea?
The InChIKey is DLSZFGRVPPWKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-14-12-15(2)25(24-14)13-16-5-7-17(8-6-16)23-19(26)22-9-3-4-18-20-10-11-21-18/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,20,21)(H2,22,23,26).
What are the key properties of 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[3-(1H-imidazol-2-yl)propyl]urea?
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[3-(1H-imidazol-2-yl)propyl]urea has a molecular weight of 352.44 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[3-(1H-imidazol-2-yl)propyl]urea is sourced from PubChem (CID 118780034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).