1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea

C17H24N4O2 — CID 96518471

IUPAC1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
SMILESCC(C)Oc1ccccc1CNC(=O)N[C@@H](C)c1cnn(C)c1
InChIInChI=1S/C17H24N4O2/c1-12(2)23-16-8-6-5-7-14(16)9-18-17(22)20-13(3)15-10-19-21(4)11-15/h5-8,10-13H,9H2,1-4H3,(H2,18,20,22)/t13-/m0/s1
InChIKeyDVNHXGYTPJQRIR-ZDUSSCGKSA-N
MW316.41 g/mol
LogP2.77
Rot. Bonds6

About 1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea

1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea (PubChem CID 96518471) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
PubChem CID96518471
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
SMILESCC(C)Oc1ccccc1CNC(=O)N[C@@H](C)c1cnn(C)c1
InChIInChI=1S/C17H24N4O2/c1-12(2)23-16-8-6-5-7-14(16)9-18-17(22)20-13(3)15-10-19-21(4)11-15/h5-8,10-13H,9H2,1-4H3,(H2,18,20,22)/t13-/m0/s1
InChIKeyDVNHXGYTPJQRIR-ZDUSSCGKSA-N
XLogP2.77
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea with MolForge

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Related Compounds

1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(quinolin-8-ylmethyl)urea
CID 71869938
1-[(2,5-dimethylfuran-3-yl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 71990077
1-(3-hydroxybutyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111507032
1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111481795
1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111481801
(2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 83294447
N-methyl-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide
CID 125144882
1-[1-(4-tert-butylphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 60541279
1-(2-hydroxy-2-propylpentyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111507020
2-[3-[1-(1-methylpyrazol-4-yl)ethylamino]-3-oxopropyl]benzoic acid
CID 120550055
1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(2-prop-2-enoxyphenyl)methyl]urea
CID 56787676
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
CID 55931991

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea?
The IUPAC name of 1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea (CID 96518471) is 1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea.
What is the SMILES notation for 1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea?
The canonical SMILES for 1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea is CC(C)Oc1ccccc1CNC(=O)N[C@@H](C)c1cnn(C)c1.
What is the InChIKey of 1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea?
The InChIKey is DVNHXGYTPJQRIR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(2)23-16-8-6-5-7-14(16)9-18-17(22)20-13(3)15-10-19-21(4)11-15/h5-8,10-13H,9H2,1-4H3,(H2,18,20,22)/t13-/m0/s1.
What are the key properties of 1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea?
1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea has a molecular weight of 316.41 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea is sourced from PubChem (CID 96518471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).