1-[4-(1-aminoethyl)phenyl]-3-(1-ethylpyrazol-4-yl)urea

C14H19N5O — CID 61339861

IUPAC1-[4-(1-aminoethyl)phenyl]-3-(1-ethylpyrazol-4-yl)urea
SMILESCCn1cc(NC(=O)Nc2ccc(C(C)N)cc2)cn1
InChIInChI=1S/C14H19N5O/c1-3-19-9-13(8-16-19)18-14(20)17-12-6-4-11(5-7-12)10(2)15/h4-10H,3,15H2,1-2H3,(H2,17,18,20)
InChIKeyQVMLLAWTAXERSA-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.57
Rot. Bonds4

About 1-[4-(1-aminoethyl)phenyl]-3-(1-ethylpyrazol-4-yl)urea

1-[4-(1-aminoethyl)phenyl]-3-(1-ethylpyrazol-4-yl)urea (PubChem CID 61339861) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)phenyl]-3-(1-ethylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)phenyl]-3-(1-ethylpyrazol-4-yl)urea
PubChem CID61339861
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-[4-(1-aminoethyl)phenyl]-3-(1-ethylpyrazol-4-yl)urea
SMILESCCn1cc(NC(=O)Nc2ccc(C(C)N)cc2)cn1
InChIInChI=1S/C14H19N5O/c1-3-19-9-13(8-16-19)18-14(20)17-12-6-4-11(5-7-12)10(2)15/h4-10H,3,15H2,1-2H3,(H2,17,18,20)
InChIKeyQVMLLAWTAXERSA-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(1-ethylpyrazol-4-yl)urea
CID 94797599
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea
CID 47200410
1-(3-aminophenyl)-3-(1-ethylpyrazol-4-yl)urea
CID 43543950
2-amino-N-(1-ethylpyrazol-4-yl)-2-phenylacetamide
CID 43543649
(2S)-2-amino-N-(1-ethylpyrazol-4-yl)-3-methylpentanamide
CID 61172285
(2R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methylbutanoic acid
CID 79009865
1-butyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200322
(2S,3R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-hydroxybutanoic acid
CID 104965883
2-amino-N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide;hydrochloride
CID 119292189
1-[4-(1-aminoethyl)phenyl]-3-(4-bromophenyl)urea
CID 61340372
1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea
CID 61342206

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)phenyl]-3-(1-ethylpyrazol-4-yl)urea?
The IUPAC name of 1-[4-(1-aminoethyl)phenyl]-3-(1-ethylpyrazol-4-yl)urea (CID 61339861) is 1-[4-(1-aminoethyl)phenyl]-3-(1-ethylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[4-(1-aminoethyl)phenyl]-3-(1-ethylpyrazol-4-yl)urea?
The canonical SMILES for 1-[4-(1-aminoethyl)phenyl]-3-(1-ethylpyrazol-4-yl)urea is CCn1cc(NC(=O)Nc2ccc(C(C)N)cc2)cn1.
What is the InChIKey of 1-[4-(1-aminoethyl)phenyl]-3-(1-ethylpyrazol-4-yl)urea?
The InChIKey is QVMLLAWTAXERSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-19-9-13(8-16-19)18-14(20)17-12-6-4-11(5-7-12)10(2)15/h4-10H,3,15H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[4-(1-aminoethyl)phenyl]-3-(1-ethylpyrazol-4-yl)urea?
1-[4-(1-aminoethyl)phenyl]-3-(1-ethylpyrazol-4-yl)urea has a molecular weight of 273.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)phenyl]-3-(1-ethylpyrazol-4-yl)urea is sourced from PubChem (CID 61339861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).