1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine

C17H27N5 — CID 56710882

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
SMILESCc1n[nH]c(C)c1CN1CCC(c2cc(C(C)C)n[nH]2)CC1
InChIInChI=1S/C17H27N5/c1-11(2)16-9-17(21-20-16)14-5-7-22(8-6-14)10-15-12(3)18-19-13(15)4/h9,11,14H,5-8,10H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyKEMUZLZAKWWTFE-UHFFFAOYSA-N
MW301.44 g/mol
LogP3.25
Rot. Bonds4

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine

1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine (PubChem CID 56710882) has the molecular formula C17H27N5 and a molecular weight of 301.44 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
PubChem CID56710882
Molecular FormulaC17H27N5
Molecular Weight301.44 g/mol
Exact Mass301.23
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
SMILESCc1n[nH]c(C)c1CN1CCC(c2cc(C(C)C)n[nH]2)CC1
InChIInChI=1S/C17H27N5/c1-11(2)16-9-17(21-20-16)14-5-7-22(8-6-14)10-15-12(3)18-19-13(15)4/h9,11,14H,5-8,10H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyKEMUZLZAKWWTFE-UHFFFAOYSA-N
XLogP3.25
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine with MolForge

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Related Compounds

1-[(3-cyclohexyl-1H-pyrazol-5-yl)methyl]piperidine
CID 786815
3-[3-(propan-2-yl)-1H-pyrazol-5-yl]piperidine
CID 71695345
1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine
CID 45174351
1-isobutyl-4-{1-[(3-methyl-1H-pyrazol-5-yl)methyl]-3-pyrrolidinyl}piperidine
CID 45194228
4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]-1-(2-phenylethyl)piperidine
CID 45218314
4-(3-benzyl-1H-pyrazol-5-yl)-1-[(3-methyl-1H-pyrazol-5-yl)methyl]piperidine
CID 56700985
1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
CID 56703800
1-isobutyl-N-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]piperidin-4-amine
CID 56712928
N,2,2,6,6-Pentamethyl-N-[(5-propyl-1H-pyrazol-3-YL)methyl]piperidin-4-amine
CID 56748665
4-(3-methyl-1H-pyrazol-5-yl)piperidine dihydrochloride
CID 71757999
3-(3-methyl-1H-pyrazol-5-yl)piperidine hydrochloride
CID 112756464
3-(5-methyl-1H-pyrazol-3-yl)piperidine
CID 71695335

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine (CID 56710882) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine is Cc1n[nH]c(C)c1CN1CCC(c2cc(C(C)C)n[nH]2)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine?
The InChIKey is KEMUZLZAKWWTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5/c1-11(2)16-9-17(21-20-16)14-5-7-22(8-6-14)10-15-12(3)18-19-13(15)4/h9,11,14H,5-8,10H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine has a molecular weight of 301.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 56710882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).