1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(1-ethylpyrazol-4-yl)urea

C15H20N6O2 — CID 94797599

IUPAC1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(1-ethylpyrazol-4-yl)urea
SMILESCCn1cc(NC(=O)N[C@H](C)c2ccc(NC(N)=O)cc2)cn1
InChIInChI=1S/C15H20N6O2/c1-3-21-9-13(8-17-21)20-15(23)18-10(2)11-4-6-12(7-5-11)19-14(16)22/h4-10H,3H2,1-2H3,(H3,16,19,22)(H2,18,20,23)/t10-/m1/s1
InChIKeyLNNITKYAAIKNTK-SNVBAGLBSA-N
MW316.37 g/mol
LogP2.28
Rot. Bonds5

About 1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(1-ethylpyrazol-4-yl)urea

1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(1-ethylpyrazol-4-yl)urea (PubChem CID 94797599) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(1-ethylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(1-ethylpyrazol-4-yl)urea
PubChem CID94797599
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(1-ethylpyrazol-4-yl)urea
SMILESCCn1cc(NC(=O)N[C@H](C)c2ccc(NC(N)=O)cc2)cn1
InChIInChI=1S/C15H20N6O2/c1-3-21-9-13(8-17-21)20-15(23)18-10(2)11-4-6-12(7-5-11)19-14(16)22/h4-10H,3H2,1-2H3,(H3,16,19,22)(H2,18,20,23)/t10-/m1/s1
InChIKeyLNNITKYAAIKNTK-SNVBAGLBSA-N
XLogP2.28
TPSA114.07 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea
CID 47200410
1-[4-(1-aminoethyl)phenyl]-3-(1-ethylpyrazol-4-yl)urea
CID 61339861
(2R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methylbutanoic acid
CID 79009865
1-[1-(4-ethylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)urea
CID 86987830
(2S,3R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-hydroxybutanoic acid
CID 104965883
1-[(1S)-1-(4-ethylphenyl)ethyl]-3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]urea
CID 95786593
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
1-[(2S)-1-(diethylamino)propan-2-yl]-3-(1-ethylpyrazol-4-yl)urea
CID 94779080
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid
CID 61209725
N-(1-ethylpyrazol-4-yl)-N'-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide
CID 167919378
1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-methoxypropyl)urea
CID 94780475
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]pentanamide
CID 94066123

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(1-ethylpyrazol-4-yl)urea?
The IUPAC name of 1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(1-ethylpyrazol-4-yl)urea (CID 94797599) is 1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(1-ethylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(1-ethylpyrazol-4-yl)urea?
The canonical SMILES for 1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(1-ethylpyrazol-4-yl)urea is CCn1cc(NC(=O)N[C@H](C)c2ccc(NC(N)=O)cc2)cn1.
What is the InChIKey of 1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(1-ethylpyrazol-4-yl)urea?
The InChIKey is LNNITKYAAIKNTK-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-3-21-9-13(8-17-21)20-15(23)18-10(2)11-4-6-12(7-5-11)19-14(16)22/h4-10H,3H2,1-2H3,(H3,16,19,22)(H2,18,20,23)/t10-/m1/s1.
What are the key properties of 1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(1-ethylpyrazol-4-yl)urea?
1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(1-ethylpyrazol-4-yl)urea has a molecular weight of 316.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(1-ethylpyrazol-4-yl)urea is sourced from PubChem (CID 94797599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).