(5-amino-1-methylpyrazol-4-yl)-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]methanone

C19H26N4O — CID 166202740

IUPAC(5-amino-1-methylpyrazol-4-yl)-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]methanone
SMILESCn1ncc(C(=O)N2CCCC2c2ccc(C(C)(C)C)cc2)c1N
InChIInChI=1S/C19H26N4O/c1-19(2,3)14-9-7-13(8-10-14)16-6-5-11-23(16)18(24)15-12-21-22(4)17(15)20/h7-10,12,16H,5-6,11,20H2,1-4H3
InChIKeyBDHKETMLAPMULO-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.28
Rot. Bonds2

About (5-amino-1-methylpyrazol-4-yl)-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]methanone

(5-amino-1-methylpyrazol-4-yl)-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]methanone (PubChem CID 166202740) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (5-amino-1-methylpyrazol-4-yl)-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-1-methylpyrazol-4-yl)-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]methanone
PubChem CID166202740
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(5-amino-1-methylpyrazol-4-yl)-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]methanone
SMILESCn1ncc(C(=O)N2CCCC2c2ccc(C(C)(C)C)cc2)c1N
InChIInChI=1S/C19H26N4O/c1-19(2,3)14-9-7-13(8-10-14)16-6-5-11-23(16)18(24)15-12-21-22(4)17(15)20/h7-10,12,16H,5-6,11,20H2,1-4H3
InChIKeyBDHKETMLAPMULO-UHFFFAOYSA-N
XLogP3.28
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-1-methylpyrazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 113288616
2-amino-1-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]ethanone
CID 119288426
1-(5-amino-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 113288544
(5R)-5-[(2S)-2-(4-tert-butylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94838688
(5R)-5-[2-(4-tert-butylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 75467126
(5-amino-1-methylpyrazol-4-yl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone
CID 114087644
(5-amino-2-methyl-3-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 61039723
(5-amino-1-methylpyrazol-4-yl)-(azocan-1-yl)methanone
CID 115330379
[2-(4-tert-butylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119288433
2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 140707313
(5-amino-1-methylpyrazol-4-yl)-(4-propan-2-ylazepan-1-yl)methanone
CID 115330917
[2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 42953217

Frequently Asked Questions

What is the IUPAC name of (5-amino-1-methylpyrazol-4-yl)-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-amino-1-methylpyrazol-4-yl)-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]methanone (CID 166202740) is (5-amino-1-methylpyrazol-4-yl)-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-amino-1-methylpyrazol-4-yl)-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-amino-1-methylpyrazol-4-yl)-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]methanone is Cn1ncc(C(=O)N2CCCC2c2ccc(C(C)(C)C)cc2)c1N.
What is the InChIKey of (5-amino-1-methylpyrazol-4-yl)-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is BDHKETMLAPMULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-19(2,3)14-9-7-13(8-10-14)16-6-5-11-23(16)18(24)15-12-21-22(4)17(15)20/h7-10,12,16H,5-6,11,20H2,1-4H3.
What are the key properties of (5-amino-1-methylpyrazol-4-yl)-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]methanone?
(5-amino-1-methylpyrazol-4-yl)-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 326.44 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-methylpyrazol-4-yl)-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 166202740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).