(1R,2R,3R)-2-(3-chlorophenyl)-N-hydroxy-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C14H14ClN3O2 — CID 88925008

IUPAC(1R,2R,3R)-2-(3-chlorophenyl)-N-hydroxy-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cc([C@H]2[C@H](C(=O)NO)[C@@H]2c2cccc(Cl)c2)cn1
InChIInChI=1S/C14H14ClN3O2/c1-18-7-9(6-16-18)12-11(13(12)14(19)17-20)8-3-2-4-10(15)5-8/h2-7,11-13,20H,1H3,(H,17,19)/t11-,12-,13-/m1/s1
InChIKeyNWHNSMHBTVLRNV-JHJVBQTASA-N
MW291.74 g/mol
LogP2.08
Rot. Bonds3

About (1R,2R,3R)-2-(3-chlorophenyl)-N-hydroxy-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

(1R,2R,3R)-2-(3-chlorophenyl)-N-hydroxy-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 88925008) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is (1R,2R,3R)-2-(3-chlorophenyl)-N-hydroxy-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R,2R,3R)-2-(3-chlorophenyl)-N-hydroxy-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID88925008
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name(1R,2R,3R)-2-(3-chlorophenyl)-N-hydroxy-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cc([C@H]2[C@H](C(=O)NO)[C@@H]2c2cccc(Cl)c2)cn1
InChIInChI=1S/C14H14ClN3O2/c1-18-7-9(6-16-18)12-11(13(12)14(19)17-20)8-3-2-4-10(15)5-8/h2-7,11-13,20H,1H3,(H,17,19)/t11-,12-,13-/m1/s1
InChIKeyNWHNSMHBTVLRNV-JHJVBQTASA-N
XLogP2.08
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R)-2-(3-chlorophenyl)-N-hydroxy-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of (1R,2R,3R)-2-(3-chlorophenyl)-N-hydroxy-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 88925008) is (1R,2R,3R)-2-(3-chlorophenyl)-N-hydroxy-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1R,2R,3R)-2-(3-chlorophenyl)-N-hydroxy-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for (1R,2R,3R)-2-(3-chlorophenyl)-N-hydroxy-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cn1cc([C@H]2[C@H](C(=O)NO)[C@@H]2c2cccc(Cl)c2)cn1.
What is the InChIKey of (1R,2R,3R)-2-(3-chlorophenyl)-N-hydroxy-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is NWHNSMHBTVLRNV-JHJVBQTASA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-18-7-9(6-16-18)12-11(13(12)14(19)17-20)8-3-2-4-10(15)5-8/h2-7,11-13,20H,1H3,(H,17,19)/t11-,12-,13-/m1/s1.
What are the key properties of (1R,2R,3R)-2-(3-chlorophenyl)-N-hydroxy-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
(1R,2R,3R)-2-(3-chlorophenyl)-N-hydroxy-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R)-2-(3-chlorophenyl)-N-hydroxy-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 88925008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).