N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride

C22H32ClN5O2 — CID 120843116

IUPACN-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1ccccc1-n1nccc1CN1CCCC(CNC(=O)C2CCCN2)C1.Cl
InChIInChI=1S/C22H31N5O2.ClH/c1-29-21-9-3-2-8-20(21)27-18(10-12-25-27)16-26-13-5-6-17(15-26)14-24-22(28)19-7-4-11-23-19;/h2-3,8-10,12,17,19,23H,4-7,11,13-16H2,1H3,(H,24,28);1H
InChIKeyBSADGTUJMLAOKE-UHFFFAOYSA-N
MW433.98 g/mol
LogP2.38
Rot. Bonds7

About N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride

N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120843116) has the molecular formula C22H32ClN5O2 and a molecular weight of 433.98 g/mol. Its IUPAC name is N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID120843116
Molecular FormulaC22H32ClN5O2
Molecular Weight433.98 g/mol
Exact Mass433.22
IUPAC NameN-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1ccccc1-n1nccc1CN1CCCC(CNC(=O)C2CCCN2)C1.Cl
InChIInChI=1S/C22H31N5O2.ClH/c1-29-21-9-3-2-8-20(21)27-18(10-12-25-27)16-26-13-5-6-17(15-26)14-24-22(28)19-7-4-11-23-19;/h2-3,8-10,12,17,19,23H,4-7,11,13-16H2,1H3,(H,24,28);1H
InChIKeyBSADGTUJMLAOKE-UHFFFAOYSA-N
XLogP2.38
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.98
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminoethyl)-1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-3-carboxamide
CID 120837260
[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837654
N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]ethanamine
CID 120842509
1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 120842677
1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-amine
CID 120834427
N-[[1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120843183
N-methyl-1-[1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanamine
CID 120835735
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-methylpropyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 115556890
1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpiperidin-4-amine;hydrochloride
CID 120840739

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 120843116) is N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride is COc1ccccc1-n1nccc1CN1CCCC(CNC(=O)C2CCCN2)C1.Cl.
What is the InChIKey of N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is BSADGTUJMLAOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2.ClH/c1-29-21-9-3-2-8-20(21)27-18(10-12-25-27)16-26-13-5-6-17(15-26)14-24-22(28)19-7-4-11-23-19;/h2-3,8-10,12,17,19,23H,4-7,11,13-16H2,1H3,(H,24,28);1H.
What are the key properties of N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 433.98 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120843116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).