1-[4-(aminomethyl)phenyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea

C14H19N5O — CID 106049514

IUPAC1-[4-(aminomethyl)phenyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
SMILESCc1c(CNC(=O)Nc2ccc(CN)cc2)cnn1C
InChIInChI=1S/C14H19N5O/c1-10-12(9-17-19(10)2)8-16-14(20)18-13-5-3-11(7-15)4-6-13/h3-6,9H,7-8,15H2,1-2H3,(H2,16,18,20)
InChIKeyWPSDWNVYSCVEOZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.51
Rot. Bonds4

About 1-[4-(aminomethyl)phenyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea

1-[4-(aminomethyl)phenyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea (PubChem CID 106049514) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
PubChem CID106049514
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-[4-(aminomethyl)phenyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
SMILESCc1c(CNC(=O)Nc2ccc(CN)cc2)cnn1C
InChIInChI=1S/C14H19N5O/c1-10-12(9-17-19(10)2)8-16-14(20)18-13-5-3-11(7-15)4-6-13/h3-6,9H,7-8,15H2,1-2H3,(H2,16,18,20)
InChIKeyWPSDWNVYSCVEOZ-UHFFFAOYSA-N
XLogP1.51
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19326759
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(6-methyl-2-pyridinyl)urea
CID 75523319
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-ethylsulfanylphenyl)urea
CID 75514279
1-[4-(aminomethyl)phenyl]-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea
CID 115991069
1-[4-(aminomethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea
CID 62848325
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methyl-4-pyridinyl)urea
CID 75514694
1-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 114140497
1-(4-chlorophenyl)-3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]urea
CID 17378582
1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-(3-methylphenyl)urea
CID 79524209
2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea
CID 83110053
N-(2-aminoethyl)-N'-[(1,5-dimethylpyrazol-4-yl)methyl]oxamide
CID 106033656
2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]oxyacetic acid
CID 106037417

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea (CID 106049514) is 1-[4-(aminomethyl)phenyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea is Cc1c(CNC(=O)Nc2ccc(CN)cc2)cnn1C.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea?
The InChIKey is WPSDWNVYSCVEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-12(9-17-19(10)2)8-16-14(20)18-13-5-3-11(7-15)4-6-13/h3-6,9H,7-8,15H2,1-2H3,(H2,16,18,20).
What are the key properties of 1-[4-(aminomethyl)phenyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea?
1-[4-(aminomethyl)phenyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea has a molecular weight of 273.34 g/mol, XLogP of 1.51, 4 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-[(1,5-dimethylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 106049514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).