(2S)-2-(3-chlorophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide

C19H18ClN3O3 — CID 52792045

IUPAC(2S)-2-(3-chlorophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide
SMILESCOc1ccccc1-c1cc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C19H18ClN3O3/c1-12(26-14-7-5-6-13(20)10-14)19(24)21-18-11-16(22-23-18)15-8-3-4-9-17(15)25-2/h3-12H,1-2H3,(H2,21,22,23,24)/t12-/m0/s1
InChIKeyOYNQNLKFIODYQX-LBPRGKRZSA-N
MW371.82 g/mol
LogP4.14
Rot. Bonds6

About (2S)-2-(3-chlorophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide

(2S)-2-(3-chlorophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide (PubChem CID 52792045) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide
PubChem CID52792045
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide
SMILESCOc1ccccc1-c1cc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C19H18ClN3O3/c1-12(26-14-7-5-6-13(20)10-14)19(24)21-18-11-16(22-23-18)15-8-3-4-9-17(15)25-2/h3-12H,1-2H3,(H2,21,22,23,24)/t12-/m0/s1
InChIKeyOYNQNLKFIODYQX-LBPRGKRZSA-N
XLogP4.14
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide
CID 51099256
2-(3-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 47935073
(2R)-2-(3-chlorophenoxy)-N-pyridin-2-ylpropanamide
CID 40533142
2-(2-cyanophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylbutanamide
CID 56552764
2-(3-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4319209
2-(3-chlorophenoxy)-N-(2,4-dimethoxyphenyl)propanamide
CID 5105223
2-(3-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 3382354
2-(3-chlorophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide
CID 104820692
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
4-bromo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56566131
(2S)-2-(3-chlorophenoxy)-N-(2-chlorophenyl)propanamide
CID 966242
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 7834540

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide (CID 52792045) is (2S)-2-(3-chlorophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide is COc1ccccc1-c1cc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)n[nH]1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide?
The InChIKey is OYNQNLKFIODYQX-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-12(26-14-7-5-6-13(20)10-14)19(24)21-18-11-16(22-23-18)15-8-3-4-9-17(15)25-2/h3-12H,1-2H3,(H2,21,22,23,24)/t12-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide?
(2S)-2-(3-chlorophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide has a molecular weight of 371.82 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide is sourced from PubChem (CID 52792045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).