3-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-4-methylbenzamide

C19H25N5O2 — CID 72890543

IUPAC3-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1NC(=O)N(Cc1c(C)nn(C)c1C)C1CC1
InChIInChI=1S/C19H25N5O2/c1-11-5-6-14(18(20)25)9-17(11)21-19(26)24(15-7-8-15)10-16-12(2)22-23(4)13(16)3/h5-6,9,15H,7-8,10H2,1-4H3,(H2,20,25)(H,21,26)
InChIKeyKEKIYTQHYCFYPN-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.64
Rot. Bonds5

About 3-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-4-methylbenzamide

3-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-4-methylbenzamide (PubChem CID 72890543) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-4-methylbenzamide.

Molecular Properties

Compound Name3-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-4-methylbenzamide
PubChem CID72890543
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name3-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1NC(=O)N(Cc1c(C)nn(C)c1C)C1CC1
InChIInChI=1S/C19H25N5O2/c1-11-5-6-14(18(20)25)9-17(11)21-19(26)24(15-7-8-15)10-16-12(2)22-23(4)13(16)3/h5-6,9,15H,7-8,10H2,1-4H3,(H2,20,25)(H,21,26)
InChIKeyKEKIYTQHYCFYPN-UHFFFAOYSA-N
XLogP2.64
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-4-methylbenzamide with MolForge

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Related Compounds

1-cyclopropyl-3-[4-(difluoromethoxy)phenyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 72910145
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 50951963
1-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 122556095
3-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4-methylbenzoic acid
CID 61452697
N-cyclopropyl-2-(2H-tetrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 74242191
N-cyclopropyl-3-pyrazol-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 50984971
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
CID 28614415
N-cyclopropyl-3,3,3-trifluoro-2-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 56879611
1-cyclopropyl-3-[(3S)-3-morpholin-4-ylbutyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 125438066
N-[5-[[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methylphenyl]propanamide
CID 118783640
1-cyclopropyl-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 126445216
trans-(1R,2R)-N-cyclopropyl-2-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 56743077

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-4-methylbenzamide?
The IUPAC name of 3-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-4-methylbenzamide (CID 72890543) is 3-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-4-methylbenzamide.
What is the SMILES notation for 3-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-4-methylbenzamide?
The canonical SMILES for 3-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-4-methylbenzamide is Cc1ccc(C(N)=O)cc1NC(=O)N(Cc1c(C)nn(C)c1C)C1CC1.
What is the InChIKey of 3-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-4-methylbenzamide?
The InChIKey is KEKIYTQHYCFYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-11-5-6-14(18(20)25)9-17(11)21-19(26)24(15-7-8-15)10-16-12(2)22-23(4)13(16)3/h5-6,9,15H,7-8,10H2,1-4H3,(H2,20,25)(H,21,26).
What are the key properties of 3-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-4-methylbenzamide?
3-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-4-methylbenzamide has a molecular weight of 355.44 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-4-methylbenzamide is sourced from PubChem (CID 72890543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).