2-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4-methylquinazoline

C20H25N5 — CID 56780557

IUPAC2-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4-methylquinazoline
SMILESCc1cc(C)n(CC2CCCN2Cc2nc(C)c3ccccc3n2)n1
InChIInChI=1S/C20H25N5/c1-14-11-15(2)25(23-14)12-17-7-6-10-24(17)13-20-21-16(3)18-8-4-5-9-19(18)22-20/h4-5,8-9,11,17H,6-7,10,12-13H2,1-3H3
InChIKeyMJPFZMNGBUCAHB-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.42
Rot. Bonds4

About 2-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4-methylquinazoline

2-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4-methylquinazoline (PubChem CID 56780557) has the molecular formula C20H25N5 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4-methylquinazoline.

Molecular Properties

Compound Name2-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4-methylquinazoline
PubChem CID56780557
Molecular FormulaC20H25N5
Molecular Weight335.45 g/mol
Exact Mass335.21
IUPAC Name2-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4-methylquinazoline
SMILESCc1cc(C)n(CC2CCCN2Cc2nc(C)c3ccccc3n2)n1
InChIInChI=1S/C20H25N5/c1-14-11-15(2)25(23-14)12-17-7-6-10-24(17)13-20-21-16(3)18-8-4-5-9-19(18)22-20/h4-5,8-9,11,17H,6-7,10,12-13H2,1-3H3
InChIKeyMJPFZMNGBUCAHB-UHFFFAOYSA-N
XLogP3.42
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 141327365
4-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]quinazoline
CID 95630596
2-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 111497187
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 95350038
5-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-phenyltetrazole
CID 95349117
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-methylpyrazine
CID 95609740
3,5-dimethyl-1-[[(2R)-1-propylpyrrolidin-2-yl]methyl]pyrazole
CID 95341471
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95341499
2-[3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]-1,3-benzoxazole
CID 95609732
3,5-dimethyl-1-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrazole
CID 56780569
3,5-dimethyl-1-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]pyrazole
CID 95341473
5-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole
CID 95349314

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4-methylquinazoline?
The IUPAC name of 2-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4-methylquinazoline (CID 56780557) is 2-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4-methylquinazoline.
What is the SMILES notation for 2-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4-methylquinazoline?
The canonical SMILES for 2-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4-methylquinazoline is Cc1cc(C)n(CC2CCCN2Cc2nc(C)c3ccccc3n2)n1.
What is the InChIKey of 2-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4-methylquinazoline?
The InChIKey is MJPFZMNGBUCAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-14-11-15(2)25(23-14)12-17-7-6-10-24(17)13-20-21-16(3)18-8-4-5-9-19(18)22-20/h4-5,8-9,11,17H,6-7,10,12-13H2,1-3H3.
What are the key properties of 2-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4-methylquinazoline?
2-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4-methylquinazoline has a molecular weight of 335.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4-methylquinazoline is sourced from PubChem (CID 56780557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).