3-(4-chlorophenyl)-N-[2-(cyclopropylmethoxy)ethyl]-1H-pyrazole-5-carboxamide

C16H18ClN3O2 — CID 86900180

IUPAC3-(4-chlorophenyl)-N-[2-(cyclopropylmethoxy)ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCOCC1CC1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C16H18ClN3O2/c17-13-5-3-12(4-6-13)14-9-15(20-19-14)16(21)18-7-8-22-10-11-1-2-11/h3-6,9,11H,1-2,7-8,10H2,(H,18,21)(H,19,20)
InChIKeyCHLFNMXYYFXFAK-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.89
Rot. Bonds7

About 3-(4-chlorophenyl)-N-[2-(cyclopropylmethoxy)ethyl]-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-[2-(cyclopropylmethoxy)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 86900180) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-(cyclopropylmethoxy)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-(cyclopropylmethoxy)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID86900180
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name3-(4-chlorophenyl)-N-[2-(cyclopropylmethoxy)ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCOCC1CC1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C16H18ClN3O2/c17-13-5-3-12(4-6-13)14-9-15(20-19-14)16(21)18-7-8-22-10-11-1-2-11/h3-6,9,11H,1-2,7-8,10H2,(H,18,21)(H,19,20)
InChIKeyCHLFNMXYYFXFAK-UHFFFAOYSA-N
XLogP2.89
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 71713187
3-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide
CID 112814117
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3-(4-chlorophenyl)-N-piperidin-3-yl-1H-pyrazole-5-carboxamide
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3-(4-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 45030562
3-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide
CID 19509582
4-chloro-N-[4-[3-(cyclopropylmethoxy)propylamino]-4-oxobutyl]benzamide
CID 55410421
3-(4-fluoro-3-methylphenyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-carboxamide
CID 110416694
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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-(cyclopropylmethoxy)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-(cyclopropylmethoxy)ethyl]-1H-pyrazole-5-carboxamide (CID 86900180) is 3-(4-chlorophenyl)-N-[2-(cyclopropylmethoxy)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-(cyclopropylmethoxy)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-(cyclopropylmethoxy)ethyl]-1H-pyrazole-5-carboxamide is O=C(NCCOCC1CC1)c1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-(cyclopropylmethoxy)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is CHLFNMXYYFXFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c17-13-5-3-12(4-6-13)14-9-15(20-19-14)16(21)18-7-8-22-10-11-1-2-11/h3-6,9,11H,1-2,7-8,10H2,(H,18,21)(H,19,20).
What are the key properties of 3-(4-chlorophenyl)-N-[2-(cyclopropylmethoxy)ethyl]-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-[2-(cyclopropylmethoxy)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[2-(cyclopropylmethoxy)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 86900180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).