3,4-dicyclopropyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-triazole

C19H28N6 — CID 97350142

IUPAC3,4-dicyclopropyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-triazole
SMILESCc1nn(C)c(C)c1[C@@H]1CCCN1Cc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C19H28N6/c1-12-18(13(2)23(3)22-12)16-5-4-10-24(16)11-17-20-21-19(14-6-7-14)25(17)15-8-9-15/h14-16H,4-11H2,1-3H3/t16-/m0/s1
InChIKeyUZRUOVDVGWGJGW-INIZCTEOSA-N
MW340.48 g/mol
LogP3.18
Rot. Bonds5

About 3,4-dicyclopropyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-triazole

3,4-dicyclopropyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-triazole (PubChem CID 97350142) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is 3,4-dicyclopropyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-triazole.

Molecular Properties

Compound Name3,4-dicyclopropyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-triazole
PubChem CID97350142
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name3,4-dicyclopropyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-triazole
SMILESCc1nn(C)c(C)c1[C@@H]1CCCN1Cc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C19H28N6/c1-12-18(13(2)23(3)22-12)16-5-4-10-24(16)11-17-20-21-19(14-6-7-14)25(17)15-8-9-15/h14-16H,4-11H2,1-3H3/t16-/m0/s1
InChIKeyUZRUOVDVGWGJGW-INIZCTEOSA-N
XLogP3.18
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 128981084
1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine
CID 154794150
2-methyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrazine
CID 95979023
1,3,5-trimethyl-4-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]pyrazole
CID 86895587
4-[(2R)-1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole
CID 95750793
2-phenyl-5-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95978943
4-[(2R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole
CID 95611782
1,3,5-trimethyl-4-[(2R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]pyrazole
CID 95611766
3-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 122029033
3-cyclopropyl-4-methyl-5-[[(2S)-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]-1,2,4-triazole
CID 97009635
3-phenyl-5-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 95610205
N-(dicyclopropylmethyl)-2-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95610221

Frequently Asked Questions

What is the IUPAC name of 3,4-dicyclopropyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-triazole?
The IUPAC name of 3,4-dicyclopropyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-triazole (CID 97350142) is 3,4-dicyclopropyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-triazole.
What is the SMILES notation for 3,4-dicyclopropyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-triazole?
The canonical SMILES for 3,4-dicyclopropyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-triazole is Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1nnc(C2CC2)n1C1CC1.
What is the InChIKey of 3,4-dicyclopropyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-triazole?
The InChIKey is UZRUOVDVGWGJGW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N6/c1-12-18(13(2)23(3)22-12)16-5-4-10-24(16)11-17-20-21-19(14-6-7-14)25(17)15-8-9-15/h14-16H,4-11H2,1-3H3/t16-/m0/s1.
What are the key properties of 3,4-dicyclopropyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-triazole?
3,4-dicyclopropyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-triazole has a molecular weight of 340.48 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dicyclopropyl-5-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-triazole is sourced from PubChem (CID 97350142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).