(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone

C20H29N5O — CID 125002274

IUPAC(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCN(C)Cc1ccc([C@H]2CCCN2C(=O)c2cc(C(C)(C)C)[nH]n2)nc1
InChIInChI=1S/C20H29N5O/c1-20(2,3)18-11-16(22-23-18)19(26)25-10-6-7-17(25)15-9-8-14(12-21-15)13-24(4)5/h8-9,11-12,17H,6-7,10,13H2,1-5H3,(H,22,23)/t17-/m1/s1
InChIKeySJEHQTZLTBMJBS-QGZVFWFLSA-N
MW355.49 g/mol
LogP3.14
Rot. Bonds4

About (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone

(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone (PubChem CID 125002274) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
PubChem CID125002274
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCN(C)Cc1ccc([C@H]2CCCN2C(=O)c2cc(C(C)(C)C)[nH]n2)nc1
InChIInChI=1S/C20H29N5O/c1-20(2,3)18-11-16(22-23-18)19(26)25-10-6-7-17(25)15-9-8-14(12-21-15)13-24(4)5/h8-9,11-12,17H,6-7,10,13H2,1-5H3,(H,22,23)/t17-/m1/s1
InChIKeySJEHQTZLTBMJBS-QGZVFWFLSA-N
XLogP3.14
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1H-inden-5-yl-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124958735
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CID 110120684
(5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99609321
[(2S)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 124949943
1-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one
CID 124967514
1-[2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one
CID 110107682
(5-tert-butyl-1H-pyrazol-3-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 175652614
N-[2-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 124995253
(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]methanone
CID 124963028
(5-tert-butyl-1H-pyrazol-3-yl)-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 110224835
(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 92552434
1-[(2S)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 124962957

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone (CID 125002274) is (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone is CN(C)Cc1ccc([C@H]2CCCN2C(=O)c2cc(C(C)(C)C)[nH]n2)nc1.
What is the InChIKey of (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone?
The InChIKey is SJEHQTZLTBMJBS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29N5O/c1-20(2,3)18-11-16(22-23-18)19(26)25-10-6-7-17(25)15-9-8-14(12-21-15)13-24(4)5/h8-9,11-12,17H,6-7,10,13H2,1-5H3,(H,22,23)/t17-/m1/s1.
What are the key properties of (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone?
(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone has a molecular weight of 355.49 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 125002274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).