(4-methoxy-1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride

C19H26ClN5O2 — CID 120994712

IUPAC(4-methoxy-1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(N2CCNCC2)C1.Cl
InChIInChI=1S/C19H25N5O2.ClH/c1-26-17-14-24(15-5-3-2-4-6-15)21-18(17)19(25)23-10-7-16(13-23)22-11-8-20-9-12-22;/h2-6,14,16,20H,7-13H2,1H3;1H
InChIKeyWBVUMJOHBDPXTQ-UHFFFAOYSA-N
MW391.90 g/mol
LogP1.42
Rot. Bonds4

About (4-methoxy-1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride

(4-methoxy-1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 120994712) has the molecular formula C19H26ClN5O2 and a molecular weight of 391.90 g/mol. Its IUPAC name is (4-methoxy-1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-methoxy-1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID120994712
Molecular FormulaC19H26ClN5O2
Molecular Weight391.90 g/mol
Exact Mass391.18
IUPAC Name(4-methoxy-1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(N2CCNCC2)C1.Cl
InChIInChI=1S/C19H25N5O2.ClH/c1-26-17-14-24(15-5-3-2-4-6-15)21-18(17)19(25)23-10-7-16(13-23)22-11-8-20-9-12-22;/h2-6,14,16,20H,7-13H2,1H3;1H
InChIKeyWBVUMJOHBDPXTQ-UHFFFAOYSA-N
XLogP1.42
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of (4-methoxy-1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride (CID 120994712) is (4-methoxy-1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (4-methoxy-1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (4-methoxy-1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride is COc1cn(-c2ccccc2)nc1C(=O)N1CCC(N2CCNCC2)C1.Cl.
What is the InChIKey of (4-methoxy-1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is WBVUMJOHBDPXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2.ClH/c1-26-17-14-24(15-5-3-2-4-6-15)21-18(17)19(25)23-10-7-16(13-23)22-11-8-20-9-12-22;/h2-6,14,16,20H,7-13H2,1H3;1H.
What are the key properties of (4-methoxy-1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
(4-methoxy-1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 391.90 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120994712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).