(2S)-N-(1-tert-butyl-4-phenylpyrazol-5-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide

C20H28N4O2 — CID 72842591

IUPAC(2S)-N-(1-tert-butyl-4-phenylpyrazol-5-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide
SMILESCOC[C@@H]1CCCN1C(=O)Nc1c(-c2ccccc2)cnn1C(C)(C)C
InChIInChI=1S/C20H28N4O2/c1-20(2,3)24-18(17(13-21-24)15-9-6-5-7-10-15)22-19(25)23-12-8-11-16(23)14-26-4/h5-7,9-10,13,16H,8,11-12,14H2,1-4H3,(H,22,25)/t16-/m0/s1
InChIKeyDCFWPERMTMQPBZ-INIZCTEOSA-N
MW356.47 g/mol
LogP3.95
Rot. Bonds4

About (2S)-N-(1-tert-butyl-4-phenylpyrazol-5-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide

(2S)-N-(1-tert-butyl-4-phenylpyrazol-5-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide (PubChem CID 72842591) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (2S)-N-(1-tert-butyl-4-phenylpyrazol-5-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1-tert-butyl-4-phenylpyrazol-5-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide
PubChem CID72842591
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name(2S)-N-(1-tert-butyl-4-phenylpyrazol-5-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide
SMILESCOC[C@@H]1CCCN1C(=O)Nc1c(-c2ccccc2)cnn1C(C)(C)C
InChIInChI=1S/C20H28N4O2/c1-20(2,3)24-18(17(13-21-24)15-9-6-5-7-10-15)22-19(25)23-12-8-11-16(23)14-26-4/h5-7,9-10,13,16H,8,11-12,14H2,1-4H3,(H,22,25)/t16-/m0/s1
InChIKeyDCFWPERMTMQPBZ-INIZCTEOSA-N
XLogP3.95
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 12714099
(2S)-N-(1H-indazol-4-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 72886878
N-[1-tert-butyl-3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]-2-methylbenzamide
CID 59001612
(2S)-N-(2,4-dichloro-3-methylphenyl)-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 72929137
[(2S)-2-(methoxymethoxymethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
CID 14068808
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(4-phenyltriazol-1-yl)ethanone
CID 97062773
(2S)-2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 97277081
2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 72887597
1-[2-(methoxymethyl)pyrrolidin-1-yl]-2-(4-phenyltriazol-1-yl)ethanone
CID 71917448
2-[3-[[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]amino]anilino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 68757613
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(2-methylsulfanylphenyl)phenyl]methanone
CID 118779278
3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 83624626

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-tert-butyl-4-phenylpyrazol-5-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(1-tert-butyl-4-phenylpyrazol-5-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide (CID 72842591) is (2S)-N-(1-tert-butyl-4-phenylpyrazol-5-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(1-tert-butyl-4-phenylpyrazol-5-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(1-tert-butyl-4-phenylpyrazol-5-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide is COC[C@@H]1CCCN1C(=O)Nc1c(-c2ccccc2)cnn1C(C)(C)C.
What is the InChIKey of (2S)-N-(1-tert-butyl-4-phenylpyrazol-5-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is DCFWPERMTMQPBZ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-20(2,3)24-18(17(13-21-24)15-9-6-5-7-10-15)22-19(25)23-12-8-11-16(23)14-26-4/h5-7,9-10,13,16H,8,11-12,14H2,1-4H3,(H,22,25)/t16-/m0/s1.
What are the key properties of (2S)-N-(1-tert-butyl-4-phenylpyrazol-5-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide?
(2S)-N-(1-tert-butyl-4-phenylpyrazol-5-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-tert-butyl-4-phenylpyrazol-5-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 72842591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).