1-[4-(aminomethyl)phenyl]-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea

C15H21N5O — CID 115991069

IUPAC1-[4-(aminomethyl)phenyl]-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea
SMILESCCc1nn(C)cc1CNC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C15H21N5O/c1-3-14-12(10-20(2)19-14)9-17-15(21)18-13-6-4-11(8-16)5-7-13/h4-7,10H,3,8-9,16H2,1-2H3,(H2,17,18,21)
InChIKeyXHZPSCDDHFAWAN-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.76
Rot. Bonds5

About 1-[4-(aminomethyl)phenyl]-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea

1-[4-(aminomethyl)phenyl]-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea (PubChem CID 115991069) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea
PubChem CID115991069
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-[4-(aminomethyl)phenyl]-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea
SMILESCCc1nn(C)cc1CNC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C15H21N5O/c1-3-14-12(10-20(2)19-14)9-17-15(21)18-13-6-4-11(8-16)5-7-13/h4-7,10H,3,8-9,16H2,1-2H3,(H2,17,18,21)
InChIKeyXHZPSCDDHFAWAN-UHFFFAOYSA-N
XLogP1.76
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115988977
1-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 112668695
1-[4-(aminomethyl)phenyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 106049514
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(2-methylprop-2-enyl)urea
CID 91661490
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 115888763
1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea
CID 115887050
(2S)-3-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-2-hydroxypropanoic acid
CID 114007698
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxy-2-methylpropanamide
CID 103430361
2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol
CID 112549620
3-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 115989215
2-(2-aminoethoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
CID 112669329

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea (CID 115991069) is 1-[4-(aminomethyl)phenyl]-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea is CCc1nn(C)cc1CNC(=O)Nc1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea?
The InChIKey is XHZPSCDDHFAWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-14-12(10-20(2)19-14)9-17-15(21)18-13-6-4-11(8-16)5-7-13/h4-7,10H,3,8-9,16H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-[4-(aminomethyl)phenyl]-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea?
1-[4-(aminomethyl)phenyl]-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 287.37 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 115991069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).