1-[3-(N-methylanilino)propyl]-3-(1-methylpyrazol-3-yl)urea

C15H21N5O — CID 60616962

IUPAC1-[3-(N-methylanilino)propyl]-3-(1-methylpyrazol-3-yl)urea
SMILESCN(CCCNC(=O)Nc1ccn(C)n1)c1ccccc1
InChIInChI=1S/C15H21N5O/c1-19(13-7-4-3-5-8-13)11-6-10-16-15(21)17-14-9-12-20(2)18-14/h3-5,7-9,12H,6,10-11H2,1-2H3,(H2,16,17,18,21)
InChIKeyRBPPPSUNEHDDID-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.07
Rot. Bonds6

About 1-[3-(N-methylanilino)propyl]-3-(1-methylpyrazol-3-yl)urea

1-[3-(N-methylanilino)propyl]-3-(1-methylpyrazol-3-yl)urea (PubChem CID 60616962) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-[3-(N-methylanilino)propyl]-3-(1-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[3-(N-methylanilino)propyl]-3-(1-methylpyrazol-3-yl)urea
PubChem CID60616962
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-[3-(N-methylanilino)propyl]-3-(1-methylpyrazol-3-yl)urea
SMILESCN(CCCNC(=O)Nc1ccn(C)n1)c1ccccc1
InChIInChI=1S/C15H21N5O/c1-19(13-7-4-3-5-8-13)11-6-10-16-15(21)17-14-9-12-20(2)18-14/h3-5,7-9,12H,6,10-11H2,1-2H3,(H2,16,17,18,21)
InChIKeyRBPPPSUNEHDDID-UHFFFAOYSA-N
XLogP2.07
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-4-[3-(N-methylanilino)propylcarbamoylamino]benzamide
CID 52594655
1-[3-(N-methylanilino)propyl]-3-(2-pyrazol-1-ylphenyl)urea
CID 52626682
1-(3-hydroxy-3-phenylpropyl)-3-(1-methylpyrazol-3-yl)urea
CID 111578993
1-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-3-yl)thiourea
CID 19401597
1-benzyl-3-[3-(N-methylanilino)propyl]urea
CID 3497237
2-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid
CID 80540855
1-(2,5-dimethylphenyl)-3-[3-(N-methylanilino)propyl]urea
CID 3822405
1-(3-bromophenyl)-3-[3-(N-methylanilino)propyl]urea
CID 52543075
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
4-bromo-1-methyl-N-[3-(N-methylanilino)propyl]pyrrole-2-carboxamide
CID 43411208
1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea
CID 47237954
1-(3-methoxyphenyl)-3-[3-(N-methylanilino)propyl]urea
CID 51290296

Frequently Asked Questions

What is the IUPAC name of 1-[3-(N-methylanilino)propyl]-3-(1-methylpyrazol-3-yl)urea?
The IUPAC name of 1-[3-(N-methylanilino)propyl]-3-(1-methylpyrazol-3-yl)urea (CID 60616962) is 1-[3-(N-methylanilino)propyl]-3-(1-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[3-(N-methylanilino)propyl]-3-(1-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-[3-(N-methylanilino)propyl]-3-(1-methylpyrazol-3-yl)urea is CN(CCCNC(=O)Nc1ccn(C)n1)c1ccccc1.
What is the InChIKey of 1-[3-(N-methylanilino)propyl]-3-(1-methylpyrazol-3-yl)urea?
The InChIKey is RBPPPSUNEHDDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-19(13-7-4-3-5-8-13)11-6-10-16-15(21)17-14-9-12-20(2)18-14/h3-5,7-9,12H,6,10-11H2,1-2H3,(H2,16,17,18,21).
What are the key properties of 1-[3-(N-methylanilino)propyl]-3-(1-methylpyrazol-3-yl)urea?
1-[3-(N-methylanilino)propyl]-3-(1-methylpyrazol-3-yl)urea has a molecular weight of 287.37 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(N-methylanilino)propyl]-3-(1-methylpyrazol-3-yl)urea is sourced from PubChem (CID 60616962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).