1-(3-aminophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea

C14H19N5O — CID 62040735

IUPAC1-(3-aminophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
SMILESCc1[nH]ncc1CCCNC(=O)Nc1cccc(N)c1
InChIInChI=1S/C14H19N5O/c1-10-11(9-17-19-10)4-3-7-16-14(20)18-13-6-2-5-12(15)8-13/h2,5-6,8-9H,3-4,7,15H2,1H3,(H,17,19)(H2,16,18,20)
InChIKeyMORPETCMYOJSFR-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.05
Rot. Bonds5

About 1-(3-aminophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea

1-(3-aminophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea (PubChem CID 62040735) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(3-aminophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea.

Molecular Properties

Compound Name1-(3-aminophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
PubChem CID62040735
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-(3-aminophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
SMILESCc1[nH]ncc1CCCNC(=O)Nc1cccc(N)c1
InChIInChI=1S/C14H19N5O/c1-10-11(9-17-19-10)4-3-7-16-14(20)18-13-6-2-5-12(15)8-13/h2,5-6,8-9H,3-4,7,15H2,1H3,(H,17,19)(H2,16,18,20)
InChIKeyMORPETCMYOJSFR-UHFFFAOYSA-N
XLogP2.05
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-cyanophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 34695025
1-(2-chloro-3-pyridinyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 60590220
5-amino-2-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62040232
2-(2-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 62040874
3-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]propanoic acid
CID 62040744
1-(3-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide
CID 62040239
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 110911683
N-[2-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]phenyl]pyridine-3-carboxamide
CID 167919508
3-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62038999
3-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 81094396
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide
CID 79004761
1-[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 51118030

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea?
The IUPAC name of 1-(3-aminophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea (CID 62040735) is 1-(3-aminophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea.
What is the SMILES notation for 1-(3-aminophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea?
The canonical SMILES for 1-(3-aminophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea is Cc1[nH]ncc1CCCNC(=O)Nc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea?
The InChIKey is MORPETCMYOJSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-11(9-17-19-10)4-3-7-16-14(20)18-13-6-2-5-12(15)8-13/h2,5-6,8-9H,3-4,7,15H2,1H3,(H,17,19)(H2,16,18,20).
What are the key properties of 1-(3-aminophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea?
1-(3-aminophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea has a molecular weight of 273.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea is sourced from PubChem (CID 62040735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).