pyrrolidin-2-yl-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone;trihydrochloride

C16H30Cl3N5O — CID 119903207

IUPACpyrrolidin-2-yl-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone;trihydrochloride
SMILESCc1nn(C)c(C)c1CN1CCN(C(=O)C2CCCN2)CC1.Cl.Cl.Cl
InChIInChI=1S/C16H27N5O.3ClH/c1-12-14(13(2)19(3)18-12)11-20-7-9-21(10-8-20)16(22)15-5-4-6-17-15;;;/h15,17H,4-11H2,1-3H3;3*1H
InChIKeyRAZZWAFAAUKCJH-UHFFFAOYSA-N
MW414.81 g/mol
LogP1.70
Rot. Bonds3

About pyrrolidin-2-yl-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone;trihydrochloride

pyrrolidin-2-yl-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone;trihydrochloride (PubChem CID 119903207) has the molecular formula C16H30Cl3N5O and a molecular weight of 414.81 g/mol. Its IUPAC name is pyrrolidin-2-yl-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone;trihydrochloride.

Molecular Properties

Compound Namepyrrolidin-2-yl-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone;trihydrochloride
PubChem CID119903207
Molecular FormulaC16H30Cl3N5O
Molecular Weight414.81 g/mol
Exact Mass413.15
IUPAC Namepyrrolidin-2-yl-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone;trihydrochloride
SMILESCc1nn(C)c(C)c1CN1CCN(C(=O)C2CCCN2)CC1.Cl.Cl.Cl
InChIInChI=1S/C16H27N5O.3ClH/c1-12-14(13(2)19(3)18-12)11-20-7-9-21(10-8-20)16(22)15-5-4-6-17-15;;;/h15,17H,4-11H2,1-3H3;3*1H
InChIKeyRAZZWAFAAUKCJH-UHFFFAOYSA-N
XLogP1.70
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.81
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze pyrrolidin-2-yl-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone;trihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 119857152
(4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119032238
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
(2S)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119725181
[4-(2-methoxyethyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119838561
[4-(2-methylpropyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119831585
3-amino-1-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]butan-1-one;trihydrochloride
CID 119903213
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 79236153
1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol
CID 110912836
2-amino-2-(oxan-4-yl)-1-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone;trihydrochloride
CID 120801673
[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119838980
1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119112195

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-2-yl-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone;trihydrochloride?
The IUPAC name of pyrrolidin-2-yl-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone;trihydrochloride (CID 119903207) is pyrrolidin-2-yl-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone;trihydrochloride.
What is the SMILES notation for pyrrolidin-2-yl-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone;trihydrochloride?
The canonical SMILES for pyrrolidin-2-yl-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone;trihydrochloride is Cc1nn(C)c(C)c1CN1CCN(C(=O)C2CCCN2)CC1.Cl.Cl.Cl.
What is the InChIKey of pyrrolidin-2-yl-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone;trihydrochloride?
The InChIKey is RAZZWAFAAUKCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O.3ClH/c1-12-14(13(2)19(3)18-12)11-20-7-9-21(10-8-20)16(22)15-5-4-6-17-15;;;/h15,17H,4-11H2,1-3H3;3*1H.
What are the key properties of pyrrolidin-2-yl-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone;trihydrochloride?
pyrrolidin-2-yl-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone;trihydrochloride has a molecular weight of 414.81 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-2-yl-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone;trihydrochloride is sourced from PubChem (CID 119903207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).