(2S)-N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide

C18H24N4O2 — CID 99134606

IUPAC(2S)-N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NOCc1ccccc1
InChIInChI=1S/C18H24N4O2/c1-13-17(14(2)21(3)19-13)16-10-7-11-22(16)18(23)20-24-12-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-12H2,1-3H3,(H,20,23)/t16-/m0/s1
InChIKeyFUIYDMOLVIHMGC-INIZCTEOSA-N
MW328.42 g/mol
LogP3.02
Rot. Bonds4

About (2S)-N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide

(2S)-N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 99134606) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2S)-N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID99134606
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2S)-N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NOCc1ccccc1
InChIInChI=1S/C18H24N4O2/c1-13-17(14(2)21(3)19-13)16-10-7-11-22(16)18(23)20-24-12-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-12H2,1-3H3,(H,20,23)/t16-/m0/s1
InChIKeyFUIYDMOLVIHMGC-INIZCTEOSA-N
XLogP3.02
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2-methylphenyl)-N-phenylmethoxypyrrolidine-1-carboxamide
CID 94867549
5-phenyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pentanoic acid
CID 122028391
(2S)-2-ethoxy-2-phenyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95735802
N-(6-methyl-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 75507962
4-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122023258
2-(4-aminophenyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119881275
3-thiophen-3-yl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95978340
1-benzofuran-2-yl-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95978326
2-(cyclopropylmethylamino)-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119881299
(2S)-2-phenyl-2-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95610209
N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
CID 166217948
3-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 122029033

Frequently Asked Questions

What is the IUPAC name of (2S)-N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide (CID 99134606) is (2S)-N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide is Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NOCc1ccccc1.
What is the InChIKey of (2S)-N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is FUIYDMOLVIHMGC-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-17(14(2)21(3)19-13)16-10-7-11-22(16)18(23)20-24-12-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-12H2,1-3H3,(H,20,23)/t16-/m0/s1.
What are the key properties of (2S)-N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide?
(2S)-N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 99134606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).