N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride

C17H29BrClN5O — CID 120843187

IUPACN-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1nn(C)c(CN2CCCC(CNC(=O)C3CCCN3)C2)c1Br.Cl
InChIInChI=1S/C17H28BrN5O.ClH/c1-12-16(18)15(22(2)21-12)11-23-8-4-5-13(10-23)9-20-17(24)14-6-3-7-19-14;/h13-14,19H,3-11H2,1-2H3,(H,20,24);1H
InChIKeyOEXXOIHLYCKIOM-UHFFFAOYSA-N
MW434.81 g/mol
LogP1.99
Rot. Bonds5

About N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride

N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120843187) has the molecular formula C17H29BrClN5O and a molecular weight of 434.81 g/mol. Its IUPAC name is N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID120843187
Molecular FormulaC17H29BrClN5O
Molecular Weight434.81 g/mol
Exact Mass433.12
IUPAC NameN-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1nn(C)c(CN2CCCC(CNC(=O)C3CCCN3)C2)c1Br.Cl
InChIInChI=1S/C17H28BrN5O.ClH/c1-12-16(18)15(22(2)21-12)11-23-8-4-5-13(10-23)9-20-17(24)14-6-3-7-19-14;/h13-14,19H,3-11H2,1-2H3,(H,20,24);1H
InChIKeyOEXXOIHLYCKIOM-UHFFFAOYSA-N
XLogP1.99
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.81
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 115556890
N-[[1-[(2-methylcyclopropyl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120843147
N-[[1-(4-methylsulfanylbutyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 103089534
N-[[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120843208
N-[[1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 137077057
N-[[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 120843136
N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120843116
(2R)-N-[[(3R)-1-[[2-(4-chlorophenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 98887072
N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119860652
N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 115556911
(2S)-N-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 113267408
N-[[1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120843183

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 120843187) is N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride is Cc1nn(C)c(CN2CCCC(CNC(=O)C3CCCN3)C2)c1Br.Cl.
What is the InChIKey of N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is OEXXOIHLYCKIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN5O.ClH/c1-12-16(18)15(22(2)21-12)11-23-8-4-5-13(10-23)9-20-17(24)14-6-3-7-19-14;/h13-14,19H,3-11H2,1-2H3,(H,20,24);1H.
What are the key properties of N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 434.81 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120843187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).