2-[1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methylpyridine

C18H26N4 — CID 75439356

IUPAC2-[1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methylpyridine
SMILESCc1cccc(C2CCCN2Cc2cnn(C(C)(C)C)c2)n1
InChIInChI=1S/C18H26N4/c1-14-7-5-8-16(20-14)17-9-6-10-21(17)12-15-11-19-22(13-15)18(2,3)4/h5,7-8,11,13,17H,6,9-10,12H2,1-4H3
InChIKeyNZCQLTKBWNFNAY-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.68
Rot. Bonds3

About 2-[1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methylpyridine

2-[1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methylpyridine (PubChem CID 75439356) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methylpyridine.

Molecular Properties

Compound Name2-[1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methylpyridine
PubChem CID75439356
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name2-[1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methylpyridine
SMILESCc1cccc(C2CCCN2Cc2cnn(C(C)(C)C)c2)n1
InChIInChI=1S/C18H26N4/c1-14-7-5-8-16(20-14)17-9-6-10-21(17)12-15-11-19-22(13-15)18(2,3)4/h5,7-8,11,13,17H,6,9-10,12H2,1-4H3
InChIKeyNZCQLTKBWNFNAY-UHFFFAOYSA-N
XLogP3.68
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95730792
2-methyl-6-[(2S)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]pyridine
CID 124874423
2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine
CID 110254681
N,N-dimethyl-2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]acetamide
CID 95817458
N,N,4-trimethyl-5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 97159631
5-[(2R)-1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 129335596
1-[(4-methoxyphenyl)methyl]-3-[4-[[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]phenyl]urea
CID 166706458
5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole
CID 97159617
6-methyl-5-[[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 97159618
cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone
CID 95817448
N-[[6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124940019
2-imidazol-1-yl-6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95826958

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methylpyridine?
The IUPAC name of 2-[1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methylpyridine (CID 75439356) is 2-[1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methylpyridine.
What is the SMILES notation for 2-[1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methylpyridine?
The canonical SMILES for 2-[1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methylpyridine is Cc1cccc(C2CCCN2Cc2cnn(C(C)(C)C)c2)n1.
What is the InChIKey of 2-[1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methylpyridine?
The InChIKey is NZCQLTKBWNFNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-14-7-5-8-16(20-14)17-9-6-10-21(17)12-15-11-19-22(13-15)18(2,3)4/h5,7-8,11,13,17H,6,9-10,12H2,1-4H3.
What are the key properties of 2-[1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methylpyridine?
2-[1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methylpyridine has a molecular weight of 298.43 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methylpyridine is sourced from PubChem (CID 75439356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).