4-(1-ethylpyrazol-4-yl)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide

C20H28N4O2 — CID 125445471

IUPAC4-(1-ethylpyrazol-4-yl)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCCn1cc(-c2ccc(C(=O)NC[C@@H]3CCN(CCOC)C3)cc2)cn1
InChIInChI=1S/C20H28N4O2/c1-3-24-15-19(13-22-24)17-4-6-18(7-5-17)20(25)21-12-16-8-9-23(14-16)10-11-26-2/h4-7,13,15-16H,3,8-12,14H2,1-2H3,(H,21,25)/t16-/m0/s1
InChIKeyYAEKSYJTDHCCAC-INIZCTEOSA-N
MW356.47 g/mol
LogP2.27
Rot. Bonds8

About 4-(1-ethylpyrazol-4-yl)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide

4-(1-ethylpyrazol-4-yl)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 125445471) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
PubChem CID125445471
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name4-(1-ethylpyrazol-4-yl)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCCn1cc(-c2ccc(C(=O)NC[C@@H]3CCN(CCOC)C3)cc2)cn1
InChIInChI=1S/C20H28N4O2/c1-3-24-15-19(13-22-24)17-4-6-18(7-5-17)20(25)21-12-16-8-9-23(14-16)10-11-26-2/h4-7,13,15-16H,3,8-12,14H2,1-2H3,(H,21,25)/t16-/m0/s1
InChIKeyYAEKSYJTDHCCAC-INIZCTEOSA-N
XLogP2.27
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
CID 95238744
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(1-methylimidazol-2-yl)benzamide
CID 126448828
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-nitrobenzamide
CID 95293738
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 91836659
4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895556
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895498
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide
CID 71880041
5-hydroxy-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]pyridine-2-carboxamide
CID 118782526
6-methoxy-N-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 125169256
N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 129369601
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)benzamide
CID 125176783
3-(cyclopropanecarbonylamino)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 50982203

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide (CID 125445471) is 4-(1-ethylpyrazol-4-yl)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide is CCn1cc(-c2ccc(C(=O)NC[C@@H]3CCN(CCOC)C3)cc2)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is YAEKSYJTDHCCAC-INIZCTEOSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-3-24-15-19(13-22-24)17-4-6-18(7-5-17)20(25)21-12-16-8-9-23(14-16)10-11-26-2/h4-7,13,15-16H,3,8-12,14H2,1-2H3,(H,21,25)/t16-/m0/s1.
What are the key properties of 4-(1-ethylpyrazol-4-yl)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide?
4-(1-ethylpyrazol-4-yl)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 356.47 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 125445471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).