N-(1-ethylpyrazol-4-yl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide

C18H24N4O2 — CID 71994452

IUPACN-(1-ethylpyrazol-4-yl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
SMILESCCn1cc(NC(=O)N2CCC(COCc3ccccc3)C2)cn1
InChIInChI=1S/C18H24N4O2/c1-2-22-12-17(10-19-22)20-18(23)21-9-8-16(11-21)14-24-13-15-6-4-3-5-7-15/h3-7,10,12,16H,2,8-9,11,13-14H2,1H3,(H,20,23)
InChIKeyGLQQKIVXUAXCTC-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.97
Rot. Bonds6

About N-(1-ethylpyrazol-4-yl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide

N-(1-ethylpyrazol-4-yl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide (PubChem CID 71994452) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
PubChem CID71994452
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(1-ethylpyrazol-4-yl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
SMILESCCn1cc(NC(=O)N2CCC(COCc3ccccc3)C2)cn1
InChIInChI=1S/C18H24N4O2/c1-2-22-12-17(10-19-22)20-18(23)21-9-8-16(11-21)14-24-13-15-6-4-3-5-7-15/h3-7,10,12,16H,2,8-9,11,13-14H2,1H3,(H,20,23)
InChIKeyGLQQKIVXUAXCTC-UHFFFAOYSA-N
XLogP2.97
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide
CID 90505534
(3S)-3-(ethoxymethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 97029592
(3S)-N-(1-benzylpyrazol-4-yl)-3-hydroxypyrrolidine-1-carboxamide
CID 111521201
3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
CID 130818239
3-(hydroxymethyl)-N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 111475189
N-ethyl-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111525711
2-[[ethylamino-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111526660
cis-(1R,2S)-2-[(3S)-3-(phenylmethoxymethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125132640
N-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 71994414
N-(2-methyl-6-methylsulfinylphenyl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
CID 102562767
(3R)-1-N-(1-benzylpyrazol-4-yl)-3-N-methylpiperidine-1,3-dicarboxamide
CID 95899241
2-(1-acetylpiperidin-4-yl)-N-(1-ethylpyrazol-4-yl)acetamide
CID 92631853

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide (CID 71994452) is N-(1-ethylpyrazol-4-yl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide is CCn1cc(NC(=O)N2CCC(COCc3ccccc3)C2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is GLQQKIVXUAXCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-2-22-12-17(10-19-22)20-18(23)21-9-8-16(11-21)14-24-13-15-6-4-3-5-7-15/h3-7,10,12,16H,2,8-9,11,13-14H2,1H3,(H,20,23).
What are the key properties of N-(1-ethylpyrazol-4-yl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide?
N-(1-ethylpyrazol-4-yl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71994452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).