4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide

C14H23ClN4O2 — CID 138000422

IUPAC4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCOCC1(CNC(=O)c2nn(C)c(C)c2Cl)CCNCC1
InChIInChI=1S/C14H23ClN4O2/c1-10-11(15)12(18-19(10)2)13(20)17-8-14(9-21-3)4-6-16-7-5-14/h16H,4-9H2,1-3H3,(H,17,20)
InChIKeyQVQLGCOQJXGHJV-UHFFFAOYSA-N
MW314.82 g/mol
LogP1.13
Rot. Bonds5

About 4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide

4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 138000422) has the molecular formula C14H23ClN4O2 and a molecular weight of 314.82 g/mol. Its IUPAC name is 4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID138000422
Molecular FormulaC14H23ClN4O2
Molecular Weight314.82 g/mol
Exact Mass314.15
IUPAC Name4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCOCC1(CNC(=O)c2nn(C)c(C)c2Cl)CCNCC1
InChIInChI=1S/C14H23ClN4O2/c1-10-11(15)12(18-19(10)2)13(20)17-8-14(9-21-3)4-6-16-7-5-14/h16H,4-9H2,1-3H3,(H,17,20)
InChIKeyQVQLGCOQJXGHJV-UHFFFAOYSA-N
XLogP1.13
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
CID 120891766
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120892057
1-[[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 122108610
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 120890222
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 120889500
5-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 120890805
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 120887382
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890802
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120888736
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 120887142
3-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120888133
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide (CID 138000422) is 4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide is COCC1(CNC(=O)c2nn(C)c(C)c2Cl)CCNCC1.
What is the InChIKey of 4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is QVQLGCOQJXGHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O2/c1-10-11(15)12(18-19(10)2)13(20)17-8-14(9-21-3)4-6-16-7-5-14/h16H,4-9H2,1-3H3,(H,17,20).
What are the key properties of 4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide?
4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 314.82 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 138000422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).