[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride

C19H26ClN5O2 — CID 120997868

IUPAC[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCOc1cccc(-c2cc(C(=O)N3CCC(N4CCNCC4)C3)[nH]n2)c1.Cl
InChIInChI=1S/C19H25N5O2.ClH/c1-26-16-4-2-3-14(11-16)17-12-18(22-21-17)19(25)24-8-5-15(13-24)23-9-6-20-7-10-23;/h2-4,11-12,15,20H,5-10,13H2,1H3,(H,21,22);1H
InChIKeyMZUWKBHXAQTBSY-UHFFFAOYSA-N
MW391.90 g/mol
LogP1.63
Rot. Bonds4

About [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride

[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 120997868) has the molecular formula C19H26ClN5O2 and a molecular weight of 391.90 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID120997868
Molecular FormulaC19H26ClN5O2
Molecular Weight391.90 g/mol
Exact Mass391.18
IUPAC Name[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCOc1cccc(-c2cc(C(=O)N3CCC(N4CCNCC4)C3)[nH]n2)c1.Cl
InChIInChI=1S/C19H25N5O2.ClH/c1-26-16-4-2-3-14(11-16)17-12-18(22-21-17)19(25)24-8-5-15(13-24)23-9-6-20-7-10-23;/h2-4,11-12,15,20H,5-10,13H2,1H3,(H,21,22);1H
InChIKeyMZUWKBHXAQTBSY-UHFFFAOYSA-N
XLogP1.63
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[(3S)-3-(3-methylphenyl)piperidin-1-yl]methanone
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(3-fluorophenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
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5-[1-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
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Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride (CID 120997868) is [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride is COc1cccc(-c2cc(C(=O)N3CCC(N4CCNCC4)C3)[nH]n2)c1.Cl.
What is the InChIKey of [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is MZUWKBHXAQTBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2.ClH/c1-26-16-4-2-3-14(11-16)17-12-18(22-21-17)19(25)24-8-5-15(13-24)23-9-6-20-7-10-23;/h2-4,11-12,15,20H,5-10,13H2,1H3,(H,21,22);1H.
What are the key properties of [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 391.90 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120997868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).