(1-tert-butylpyrazol-4-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

C17H22N4O — CID 56815043

IUPAC(1-tert-butylpyrazol-4-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESCC(C)(C)n1cc(C(=O)N2CCCC2c2ccncc2)cn1
InChIInChI=1S/C17H22N4O/c1-17(2,3)21-12-14(11-19-21)16(22)20-10-4-5-15(20)13-6-8-18-9-7-13/h6-9,11-12,15H,4-5,10H2,1-3H3
InChIKeyWXHUROSCQKGJMJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.01
Rot. Bonds2

About (1-tert-butylpyrazol-4-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

(1-tert-butylpyrazol-4-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 56815043) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is (1-tert-butylpyrazol-4-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(1-tert-butylpyrazol-4-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
PubChem CID56815043
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name(1-tert-butylpyrazol-4-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESCC(C)(C)n1cc(C(=O)N2CCCC2c2ccncc2)cn1
InChIInChI=1S/C17H22N4O/c1-17(2,3)21-12-14(11-19-21)16(22)20-10-4-5-15(20)13-6-8-18-9-7-13/h6-9,11-12,15H,4-5,10H2,1-3H3
InChIKeyWXHUROSCQKGJMJ-UHFFFAOYSA-N
XLogP3.01
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-tert-butylpyrazol-4-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95339680
(4-ethylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939220
(5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42942674
(1-tert-butylpyrazol-4-yl)-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95294042
furan-3-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631497
[2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 42953217
(2-pyridin-4-ylpyrrolidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 24631475
pyridin-4-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 110669976
cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939217
pyrazin-2-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631463
2H-benzotriazol-5-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24658259
1-(4-methylphenyl)-4-(2-pyridin-4-ylpyrrolidin-1-yl)butane-1,4-dione
CID 86920444

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylpyrazol-4-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (1-tert-butylpyrazol-4-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (CID 56815043) is (1-tert-butylpyrazol-4-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (1-tert-butylpyrazol-4-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (1-tert-butylpyrazol-4-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is CC(C)(C)n1cc(C(=O)N2CCCC2c2ccncc2)cn1.
What is the InChIKey of (1-tert-butylpyrazol-4-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is WXHUROSCQKGJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-17(2,3)21-12-14(11-19-21)16(22)20-10-4-5-15(20)13-6-8-18-9-7-13/h6-9,11-12,15H,4-5,10H2,1-3H3.
What are the key properties of (1-tert-butylpyrazol-4-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
(1-tert-butylpyrazol-4-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 298.39 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylpyrazol-4-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 56815043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).