1-[(2S)-1-(diethylamino)propan-2-yl]-3-(1-ethylpyrazol-4-yl)urea

C13H25N5O — CID 94779080

IUPAC1-[(2S)-1-(diethylamino)propan-2-yl]-3-(1-ethylpyrazol-4-yl)urea
SMILESCCN(CC)C[C@H](C)NC(=O)Nc1cnn(CC)c1
InChIInChI=1S/C13H25N5O/c1-5-17(6-2)9-11(4)15-13(19)16-12-8-14-18(7-3)10-12/h8,10-11H,5-7,9H2,1-4H3,(H2,15,16,19)/t11-/m0/s1
InChIKeyLXOFQKPBSSUPAQ-NSHDSACASA-N
MW267.38 g/mol
LogP1.75
Rot. Bonds7

About 1-[(2S)-1-(diethylamino)propan-2-yl]-3-(1-ethylpyrazol-4-yl)urea

1-[(2S)-1-(diethylamino)propan-2-yl]-3-(1-ethylpyrazol-4-yl)urea (PubChem CID 94779080) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-[(2S)-1-(diethylamino)propan-2-yl]-3-(1-ethylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[(2S)-1-(diethylamino)propan-2-yl]-3-(1-ethylpyrazol-4-yl)urea
PubChem CID94779080
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name1-[(2S)-1-(diethylamino)propan-2-yl]-3-(1-ethylpyrazol-4-yl)urea
SMILESCCN(CC)C[C@H](C)NC(=O)Nc1cnn(CC)c1
InChIInChI=1S/C13H25N5O/c1-5-17(6-2)9-11(4)15-13(19)16-12-8-14-18(7-3)10-12/h8,10-11H,5-7,9H2,1-4H3,(H2,15,16,19)/t11-/m0/s1
InChIKeyLXOFQKPBSSUPAQ-NSHDSACASA-N
XLogP1.75
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methylbutanoic acid
CID 79009865
(2S,3R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-hydroxybutanoic acid
CID 104965883
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid
CID 61209725
1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea
CID 47200410
2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63065792
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxypropanoic acid
CID 81084939
1-butyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200322
1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(1-ethylpyrazol-4-yl)urea
CID 94797599
1-[4-(1-aminoethyl)phenyl]-3-(1-ethylpyrazol-4-yl)urea
CID 61339861
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-2-methylbutanoic acid
CID 79800954
N-(1-ethylpyrazol-4-yl)-3-methyl-2-sulfanylbutanamide
CID 107022932

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(diethylamino)propan-2-yl]-3-(1-ethylpyrazol-4-yl)urea?
The IUPAC name of 1-[(2S)-1-(diethylamino)propan-2-yl]-3-(1-ethylpyrazol-4-yl)urea (CID 94779080) is 1-[(2S)-1-(diethylamino)propan-2-yl]-3-(1-ethylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[(2S)-1-(diethylamino)propan-2-yl]-3-(1-ethylpyrazol-4-yl)urea?
The canonical SMILES for 1-[(2S)-1-(diethylamino)propan-2-yl]-3-(1-ethylpyrazol-4-yl)urea is CCN(CC)C[C@H](C)NC(=O)Nc1cnn(CC)c1.
What is the InChIKey of 1-[(2S)-1-(diethylamino)propan-2-yl]-3-(1-ethylpyrazol-4-yl)urea?
The InChIKey is LXOFQKPBSSUPAQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H25N5O/c1-5-17(6-2)9-11(4)15-13(19)16-12-8-14-18(7-3)10-12/h8,10-11H,5-7,9H2,1-4H3,(H2,15,16,19)/t11-/m0/s1.
What are the key properties of 1-[(2S)-1-(diethylamino)propan-2-yl]-3-(1-ethylpyrazol-4-yl)urea?
1-[(2S)-1-(diethylamino)propan-2-yl]-3-(1-ethylpyrazol-4-yl)urea has a molecular weight of 267.38 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(diethylamino)propan-2-yl]-3-(1-ethylpyrazol-4-yl)urea is sourced from PubChem (CID 94779080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).