1-methyl-3-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-1-(1-pyridin-3-ylpropyl)urea

C19H29N5O — CID 118763854

IUPAC1-methyl-3-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-1-(1-pyridin-3-ylpropyl)urea
SMILESCCC(c1cccnc1)N(C)C(=O)Nc1c(C)cnn1C(CC)CC
InChIInChI=1S/C19H29N5O/c1-6-16(7-2)24-18(14(4)12-21-24)22-19(25)23(5)17(8-3)15-10-9-11-20-13-15/h9-13,16-17H,6-8H2,1-5H3,(H,22,25)
InChIKeyDJKLTEHCQBBBHM-UHFFFAOYSA-N
MW343.48 g/mol
LogP4.56
Rot. Bonds7

About 1-methyl-3-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-1-(1-pyridin-3-ylpropyl)urea

1-methyl-3-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-1-(1-pyridin-3-ylpropyl)urea (PubChem CID 118763854) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 1-methyl-3-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-1-(1-pyridin-3-ylpropyl)urea.

Molecular Properties

Compound Name1-methyl-3-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-1-(1-pyridin-3-ylpropyl)urea
PubChem CID118763854
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name1-methyl-3-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-1-(1-pyridin-3-ylpropyl)urea
SMILESCCC(c1cccnc1)N(C)C(=O)Nc1c(C)cnn1C(CC)CC
InChIInChI=1S/C19H29N5O/c1-6-16(7-2)24-18(14(4)12-21-24)22-19(25)23(5)17(8-3)15-10-9-11-20-13-15/h9-13,16-17H,6-8H2,1-5H3,(H,22,25)
InChIKeyDJKLTEHCQBBBHM-UHFFFAOYSA-N
XLogP4.56
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-1-(1-pyridin-3-ylpropyl)urea with MolForge

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Related Compounds

N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-2-pyridin-3-yloxyacetamide
CID 46985123
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methyl-1-[(1S)-1-pyridin-3-ylpentyl]urea
CID 97436636
N,3-dimethyl-4-[[methyl-[(1S)-1-pyridin-3-ylpentyl]carbamoyl]amino]benzamide
CID 125172275
3-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-1-[(1R)-1-pyridin-3-ylpropyl]urea
CID 126434780
N,2,5-trimethyl-1-phenyl-N-(1-pyridin-3-ylpropyl)pyrrole-3-carboxamide
CID 77084067
N-methyl-2-(methylamino)-N-(1-pyridin-3-ylpropyl)pyridine-3-carboxamide
CID 74248524
N-(2-ethoxyphenyl)-N'-methyl-N'-(1-pyridin-3-ylpropyl)propanediamide
CID 50963279
1-amino-N-methyl-N-(1-pyridin-3-ylpropyl)cyclopentane-1-carboxamide;dihydrochloride
CID 154912060
3-(dimethylamino)-3-pyridin-3-ylpropanoic acid
CID 64526600
1-methyl-1-(1-pyridin-3-ylpropyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 119059626
N-methyl-2-(3-methyl-2-oxoimidazolidin-1-yl)-N-[(1R)-1-pyridin-3-ylpropyl]acetamide
CID 126454196
N-methyl-1-oxo-N-(1-pyridin-3-ylpropyl)-2H-isoquinoline-4-carboxamide
CID 74230073

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-1-(1-pyridin-3-ylpropyl)urea?
The IUPAC name of 1-methyl-3-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-1-(1-pyridin-3-ylpropyl)urea (CID 118763854) is 1-methyl-3-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-1-(1-pyridin-3-ylpropyl)urea.
What is the SMILES notation for 1-methyl-3-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-1-(1-pyridin-3-ylpropyl)urea?
The canonical SMILES for 1-methyl-3-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-1-(1-pyridin-3-ylpropyl)urea is CCC(c1cccnc1)N(C)C(=O)Nc1c(C)cnn1C(CC)CC.
What is the InChIKey of 1-methyl-3-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-1-(1-pyridin-3-ylpropyl)urea?
The InChIKey is DJKLTEHCQBBBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-6-16(7-2)24-18(14(4)12-21-24)22-19(25)23(5)17(8-3)15-10-9-11-20-13-15/h9-13,16-17H,6-8H2,1-5H3,(H,22,25).
What are the key properties of 1-methyl-3-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-1-(1-pyridin-3-ylpropyl)urea?
1-methyl-3-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-1-(1-pyridin-3-ylpropyl)urea has a molecular weight of 343.48 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-1-(1-pyridin-3-ylpropyl)urea is sourced from PubChem (CID 118763854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).