3-[1-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]triazol-4-yl]piperidine

C17H26N6 — CID 72844951

IUPAC3-[1-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]triazol-4-yl]piperidine
SMILESCc1cc(C)n(CC2(Cn3cc(C4CCCNC4)nn3)CC2)n1
InChIInChI=1S/C17H26N6/c1-13-8-14(2)23(20-13)12-17(5-6-17)11-22-10-16(19-21-22)15-4-3-7-18-9-15/h8,10,15,18H,3-7,9,11-12H2,1-2H3
InChIKeyDXMYBQDGQPNOLQ-UHFFFAOYSA-N
MW314.44 g/mol
LogP2.04
Rot. Bonds5

About 3-[1-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]triazol-4-yl]piperidine

3-[1-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]triazol-4-yl]piperidine (PubChem CID 72844951) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is 3-[1-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]triazol-4-yl]piperidine.

Molecular Properties

Compound Name3-[1-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]triazol-4-yl]piperidine
PubChem CID72844951
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name3-[1-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]triazol-4-yl]piperidine
SMILESCc1cc(C)n(CC2(Cn3cc(C4CCCNC4)nn3)CC2)n1
InChIInChI=1S/C17H26N6/c1-13-8-14(2)23(20-13)12-17(5-6-17)11-22-10-16(19-21-22)15-4-3-7-18-9-15/h8,10,15,18H,3-7,9,11-12H2,1-2H3
InChIKeyDXMYBQDGQPNOLQ-UHFFFAOYSA-N
XLogP2.04
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-(pyrrolidin-3-yl)-1H-pyrazole
CID 82417224
N-methyl-3-(1-methylpyrazol-4-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propan-1-amine
CID 56908442
2-(Pyrrolidin-3-ylmethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine
CID 110102405
3-{1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1H-1,2,3-triazol-4-yl}piperidine
CID 72893752
(3S)-3-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]piperidine
CID 97199615
3-ethyl-1-methyl-N-[(3-methyltriazol-4-yl)methyl]pyrazol-4-amine
CID 115898011
N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 164637945
2-[1-cyclopropyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]-6-N-ethyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine
CID 176035493
2-[1-cyclopropyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]-6-N-ethyl-5-(trifluoromethyl)-1H-pyrazine-2,6-diamine
CID 176309914
2-[1-cyclopropyl-3-[3-(triazol-2-yl)cyclobutyl]pyrazol-5-yl]-6-N-ethyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine
CID 176309928
{[1-(difluoromethyl)-1H-pyrazol-5-yl]methyl}({[1-methyl-3-(propan-2-yl)-1H-pyrazol-5-yl]methyl})amine
CID 122167208
{[1-(2,2-difluoroethyl)-1H-pyrazol-4-yl]methyl}({[1-methyl-3-(propan-2-yl)-1H-pyrazol-5-yl]methyl})amine
CID 122167669

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]triazol-4-yl]piperidine?
The IUPAC name of 3-[1-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]triazol-4-yl]piperidine (CID 72844951) is 3-[1-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]triazol-4-yl]piperidine.
What is the SMILES notation for 3-[1-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]triazol-4-yl]piperidine?
The canonical SMILES for 3-[1-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]triazol-4-yl]piperidine is Cc1cc(C)n(CC2(Cn3cc(C4CCCNC4)nn3)CC2)n1.
What is the InChIKey of 3-[1-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]triazol-4-yl]piperidine?
The InChIKey is DXMYBQDGQPNOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-13-8-14(2)23(20-13)12-17(5-6-17)11-22-10-16(19-21-22)15-4-3-7-18-9-15/h8,10,15,18H,3-7,9,11-12H2,1-2H3.
What are the key properties of 3-[1-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]triazol-4-yl]piperidine?
3-[1-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]triazol-4-yl]piperidine has a molecular weight of 314.44 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]triazol-4-yl]piperidine is sourced from PubChem (CID 72844951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).