(4-amino-5-methyl-1H-pyrazol-3-yl)-(3-tert-butylpyrrolidin-1-yl)methanone

C13H22N4O — CID 113416712

IUPAC(4-amino-5-methyl-1H-pyrazol-3-yl)-(3-tert-butylpyrrolidin-1-yl)methanone
SMILESCc1[nH]nc(C(=O)N2CCC(C(C)(C)C)C2)c1N
InChIInChI=1S/C13H22N4O/c1-8-10(14)11(16-15-8)12(18)17-6-5-9(7-17)13(2,3)4/h9H,5-7,14H2,1-4H3,(H,15,16)
InChIKeyJIYKNANRTTUPQJ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.81
Rot. Bonds1

About (4-amino-5-methyl-1H-pyrazol-3-yl)-(3-tert-butylpyrrolidin-1-yl)methanone

(4-amino-5-methyl-1H-pyrazol-3-yl)-(3-tert-butylpyrrolidin-1-yl)methanone (PubChem CID 113416712) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (4-amino-5-methyl-1H-pyrazol-3-yl)-(3-tert-butylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-methyl-1H-pyrazol-3-yl)-(3-tert-butylpyrrolidin-1-yl)methanone
PubChem CID113416712
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(4-amino-5-methyl-1H-pyrazol-3-yl)-(3-tert-butylpyrrolidin-1-yl)methanone
SMILESCc1[nH]nc(C(=O)N2CCC(C(C)(C)C)C2)c1N
InChIInChI=1S/C13H22N4O/c1-8-10(14)11(16-15-8)12(18)17-6-5-9(7-17)13(2,3)4/h9H,5-7,14H2,1-4H3,(H,15,16)
InChIKeyJIYKNANRTTUPQJ-UHFFFAOYSA-N
XLogP1.81
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-5-methyl-1H-pyrazol-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 62081954
(4-amino-5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 62083322
(4-amino-5-methyl-1H-pyrazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone
CID 62083202
(4-amino-5-methyl-1H-pyrazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63605521
(4-amino-5-methyl-1H-pyrazol-3-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 62083192
1-[4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 55034854
(4-amino-5-methyl-1H-pyrazol-3-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 62083193
N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 62081242
ethyl 1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate
CID 62081053
ethyl N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]carbamate
CID 62083190
(4-amino-5-methyl-1H-pyrazol-3-yl)-(2-phenylmorpholin-4-yl)methanone
CID 62082120
1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxamide
CID 55035184

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-methyl-1H-pyrazol-3-yl)-(3-tert-butylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-5-methyl-1H-pyrazol-3-yl)-(3-tert-butylpyrrolidin-1-yl)methanone (CID 113416712) is (4-amino-5-methyl-1H-pyrazol-3-yl)-(3-tert-butylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-5-methyl-1H-pyrazol-3-yl)-(3-tert-butylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-5-methyl-1H-pyrazol-3-yl)-(3-tert-butylpyrrolidin-1-yl)methanone is Cc1[nH]nc(C(=O)N2CCC(C(C)(C)C)C2)c1N.
What is the InChIKey of (4-amino-5-methyl-1H-pyrazol-3-yl)-(3-tert-butylpyrrolidin-1-yl)methanone?
The InChIKey is JIYKNANRTTUPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-8-10(14)11(16-15-8)12(18)17-6-5-9(7-17)13(2,3)4/h9H,5-7,14H2,1-4H3,(H,15,16).
What are the key properties of (4-amino-5-methyl-1H-pyrazol-3-yl)-(3-tert-butylpyrrolidin-1-yl)methanone?
(4-amino-5-methyl-1H-pyrazol-3-yl)-(3-tert-butylpyrrolidin-1-yl)methanone has a molecular weight of 250.35 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-methyl-1H-pyrazol-3-yl)-(3-tert-butylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 113416712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).