N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride

C16H23ClN4O2S — CID 120887840

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)c2cc(-c3cccs3)[nH]n2)CCNCC1.Cl
InChIInChI=1S/C16H22N4O2S.ClH/c1-22-11-16(4-6-17-7-5-16)10-18-15(21)13-9-12(19-20-13)14-3-2-8-23-14;/h2-3,8-9,17H,4-7,10-11H2,1H3,(H,18,21)(H,19,20);1H
InChIKeyZTDCLNCQCNAEKE-UHFFFAOYSA-N
MW370.91 g/mol
LogP2.31
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 120887840) has the molecular formula C16H23ClN4O2S and a molecular weight of 370.91 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
PubChem CID120887840
Molecular FormulaC16H23ClN4O2S
Molecular Weight370.91 g/mol
Exact Mass370.12
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)c2cc(-c3cccs3)[nH]n2)CCNCC1.Cl
InChIInChI=1S/C16H22N4O2S.ClH/c1-22-11-16(4-6-17-7-5-16)10-18-15(21)13-9-12(19-20-13)14-3-2-8-23-14;/h2-3,8-9,17H,4-7,10-11H2,1H3,(H,18,21)(H,19,20);1H
InChIKeyZTDCLNCQCNAEKE-UHFFFAOYSA-N
XLogP2.31
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.91
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride with MolForge

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Related Compounds

5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 120890188
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
CID 120887710
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 120888556
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide;hydrochloride
CID 120889134
N-(2,2-dimethoxyethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 91895150
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 120892014
5-(5-chlorothiophen-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 120888871
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 120890674
2-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120891937
5-(furan-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 120891466
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyltriazole-4-carboxamide;hydrochloride
CID 120890524
2-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120888047

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride (CID 120887840) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride is COCC1(CNC(=O)c2cc(-c3cccs3)[nH]n2)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is ZTDCLNCQCNAEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S.ClH/c1-22-11-16(4-6-17-7-5-16)10-18-15(21)13-9-12(19-20-13)14-3-2-8-23-14;/h2-3,8-9,17H,4-7,10-11H2,1H3,(H,18,21)(H,19,20);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 370.91 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120887840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).