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

C20H33N5 — CID 56703800

IUPAC1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
SMILESCc1nn(C(C)C)c(C)c1CN1CCC(c2cc(C(C)C)n[nH]2)CC1
InChIInChI=1S/C20H33N5/c1-13(2)19-11-20(22-21-19)17-7-9-24(10-8-17)12-18-15(5)23-25(14(3)4)16(18)6/h11,13-14,17H,7-10,12H2,1-6H3,(H,21,22)
InChIKeyZFIDSWMVWAVSGO-UHFFFAOYSA-N
MW343.52 g/mol
LogP4.31
Rot. Bonds5

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

1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine (PubChem CID 56703800) has the molecular formula C20H33N5 and a molecular weight of 343.52 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
PubChem CID56703800
Molecular FormulaC20H33N5
Molecular Weight343.52 g/mol
Exact Mass343.27
IUPAC Name1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
SMILESCc1nn(C(C)C)c(C)c1CN1CCC(c2cc(C(C)C)n[nH]2)CC1
InChIInChI=1S/C20H33N5/c1-13(2)19-11-20(22-21-19)17-7-9-24(10-8-17)12-18-15(5)23-25(14(3)4)16(18)6/h11,13-14,17H,7-10,12H2,1-6H3,(H,21,22)
InChIKeyZFIDSWMVWAVSGO-UHFFFAOYSA-N
XLogP4.31
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine (CID 56703800) is 1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine is Cc1nn(C(C)C)c(C)c1CN1CCC(c2cc(C(C)C)n[nH]2)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine?
The InChIKey is ZFIDSWMVWAVSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5/c1-13(2)19-11-20(22-21-19)17-7-9-24(10-8-17)12-18-15(5)23-25(14(3)4)16(18)6/h11,13-14,17H,7-10,12H2,1-6H3,(H,21,22).
What are the key properties of 1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine?
1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine has a molecular weight of 343.52 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 56703800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).