1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methyl-6-pyrrolidin-3-yl-4-pyridinyl)piperazine;hydrochloride

C20H31ClN6 — CID 118741756

IUPAC1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methyl-6-pyrrolidin-3-yl-4-pyridinyl)piperazine;hydrochloride
SMILESCc1cc(N2CCN(Cc3cn(C)nc3C)CC2)cc(C2CCNC2)n1.Cl
InChIInChI=1S/C20H30N6.ClH/c1-15-10-19(11-20(22-15)17-4-5-21-12-17)26-8-6-25(7-9-26)14-18-13-24(3)23-16(18)2;/h10-11,13,17,21H,4-9,12,14H2,1-3H3;1H
InChIKeyPUGBOTJZAVNFOI-UHFFFAOYSA-N
MW390.96 g/mol
LogP2.25
Rot. Bonds4

About 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methyl-6-pyrrolidin-3-yl-4-pyridinyl)piperazine;hydrochloride

1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methyl-6-pyrrolidin-3-yl-4-pyridinyl)piperazine;hydrochloride (PubChem CID 118741756) has the molecular formula C20H31ClN6 and a molecular weight of 390.96 g/mol. Its IUPAC name is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methyl-6-pyrrolidin-3-yl-4-pyridinyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methyl-6-pyrrolidin-3-yl-4-pyridinyl)piperazine;hydrochloride
PubChem CID118741756
Molecular FormulaC20H31ClN6
Molecular Weight390.96 g/mol
Exact Mass390.23
IUPAC Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methyl-6-pyrrolidin-3-yl-4-pyridinyl)piperazine;hydrochloride
SMILESCc1cc(N2CCN(Cc3cn(C)nc3C)CC2)cc(C2CCNC2)n1.Cl
InChIInChI=1S/C20H30N6.ClH/c1-15-10-19(11-20(22-15)17-4-5-21-12-17)26-8-6-25(7-9-26)14-18-13-24(3)23-16(18)2;/h10-11,13,17,21H,4-9,12,14H2,1-3H3;1H
InChIKeyPUGBOTJZAVNFOI-UHFFFAOYSA-N
XLogP2.25
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.96
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methyl-6-pyrrolidin-3-yl-4-pyridinyl)piperazine;hydrochloride?
The IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methyl-6-pyrrolidin-3-yl-4-pyridinyl)piperazine;hydrochloride (CID 118741756) is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methyl-6-pyrrolidin-3-yl-4-pyridinyl)piperazine;hydrochloride.
What is the SMILES notation for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methyl-6-pyrrolidin-3-yl-4-pyridinyl)piperazine;hydrochloride?
The canonical SMILES for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methyl-6-pyrrolidin-3-yl-4-pyridinyl)piperazine;hydrochloride is Cc1cc(N2CCN(Cc3cn(C)nc3C)CC2)cc(C2CCNC2)n1.Cl.
What is the InChIKey of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methyl-6-pyrrolidin-3-yl-4-pyridinyl)piperazine;hydrochloride?
The InChIKey is PUGBOTJZAVNFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6.ClH/c1-15-10-19(11-20(22-15)17-4-5-21-12-17)26-8-6-25(7-9-26)14-18-13-24(3)23-16(18)2;/h10-11,13,17,21H,4-9,12,14H2,1-3H3;1H.
What are the key properties of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methyl-6-pyrrolidin-3-yl-4-pyridinyl)piperazine;hydrochloride?
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methyl-6-pyrrolidin-3-yl-4-pyridinyl)piperazine;hydrochloride has a molecular weight of 390.96 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methyl-6-pyrrolidin-3-yl-4-pyridinyl)piperazine;hydrochloride is sourced from PubChem (CID 118741756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).