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

C14H25ClN4O2 — CID 120890188

IUPAC5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCCc1cc(C(=O)NCC2(COC)CCNCC2)n[nH]1.Cl
InChIInChI=1S/C14H24N4O2.ClH/c1-3-11-8-12(18-17-11)13(19)16-9-14(10-20-2)4-6-15-7-5-14;/h8,15H,3-7,9-10H2,1-2H3,(H,16,19)(H,17,18);1H
InChIKeyUGOXKZDZPVQKFW-UHFFFAOYSA-N
MW316.83 g/mol
LogP1.14
Rot. Bonds6

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

5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 120890188) has the molecular formula C14H25ClN4O2 and a molecular weight of 316.83 g/mol. Its IUPAC name is 5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrazole-3-carboxamide;hydrochloride
PubChem CID120890188
Molecular FormulaC14H25ClN4O2
Molecular Weight316.83 g/mol
Exact Mass316.17
IUPAC Name5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCCc1cc(C(=O)NCC2(COC)CCNCC2)n[nH]1.Cl
InChIInChI=1S/C14H24N4O2.ClH/c1-3-11-8-12(18-17-11)13(19)16-9-14(10-20-2)4-6-15-7-5-14;/h8,15H,3-7,9-10H2,1-2H3,(H,16,19)(H,17,18);1H
InChIKeyUGOXKZDZPVQKFW-UHFFFAOYSA-N
XLogP1.14
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 120888556
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120887840
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 120887412
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120892057
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 120889500
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide;dihydrochloride
CID 120887674
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
4-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide;hydrochloride
CID 120892171
2-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120891937
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyltriazole-4-carboxamide;hydrochloride
CID 120890524
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide
CID 120891616

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrazole-3-carboxamide;hydrochloride (CID 120890188) is 5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrazole-3-carboxamide;hydrochloride is CCc1cc(C(=O)NCC2(COC)CCNCC2)n[nH]1.Cl.
What is the InChIKey of 5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is UGOXKZDZPVQKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2.ClH/c1-3-11-8-12(18-17-11)13(19)16-9-14(10-20-2)4-6-15-7-5-14;/h8,15H,3-7,9-10H2,1-2H3,(H,16,19)(H,17,18);1H.
What are the key properties of 5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrazole-3-carboxamide;hydrochloride?
5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120890188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).