1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide

C22H39N5O2 — CID 45194679

IUPAC1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)c1cnn(CC)c1
InChIInChI=1S/C22H39N5O2/c1-4-25-10-6-7-21(25)18-26(22(28)20-15-23-27(5-2)17-20)16-19-8-11-24(12-9-19)13-14-29-3/h15,17,19,21H,4-14,16,18H2,1-3H3
InChIKeyJDPDJJZEPMLWOI-UHFFFAOYSA-N
MW405.59 g/mol
LogP2.19
Rot. Bonds10

About 1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide

1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide (PubChem CID 45194679) has the molecular formula C22H39N5O2 and a molecular weight of 405.59 g/mol. Its IUPAC name is 1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
PubChem CID45194679
Molecular FormulaC22H39N5O2
Molecular Weight405.59 g/mol
Exact Mass405.31
IUPAC Name1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)c1cnn(CC)c1
InChIInChI=1S/C22H39N5O2/c1-4-25-10-6-7-21(25)18-26(22(28)20-15-23-27(5-2)17-20)16-19-8-11-24(12-9-19)13-14-29-3/h15,17,19,21H,4-14,16,18H2,1-3H3
InChIKeyJDPDJJZEPMLWOI-UHFFFAOYSA-N
XLogP2.19
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,1-diethyl-N-[3-(4-morpholinyl)propyl]-1H-pyrazole-4-carboxamide trifluoroacetate
CID 28392279
1-cyclohexyl-N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide
CID 72859718
1-cyclopentyl-N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 72914681
1-[[1-(1-Methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
CID 110258819
{(3R*,4R*)-1-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl}methanol
CID 72861792
[(3R*,4R*)-1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-4-(4-morpholinylmethyl)-3-pyrrolidinyl]methanol
CID 72898423
[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 25367596
(4aS*,7aS*)-6-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]octahydro-1H-pyrrolo[3,4-b]pyridine
CID 70715204
(1-Cyclohexylpyrazol-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone
CID 71927914
1-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 71933275
9-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72932265
2-Azabicyclo[2.2.1]heptan-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone
CID 84584079

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide (CID 45194679) is 1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide is CCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)c1cnn(CC)c1.
What is the InChIKey of 1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is JDPDJJZEPMLWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N5O2/c1-4-25-10-6-7-21(25)18-26(22(28)20-15-23-27(5-2)17-20)16-19-8-11-24(12-9-19)13-14-29-3/h15,17,19,21H,4-14,16,18H2,1-3H3.
What are the key properties of 1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 405.59 g/mol, XLogP of 2.19, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 45194679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).