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

C17H25N3S — CID 56714764

IUPAC1-[(3-methylthiophen-2-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
SMILESCc1ccsc1CN1CCC(c2cc(C(C)C)n[nH]2)CC1
InChIInChI=1S/C17H25N3S/c1-12(2)15-10-16(19-18-15)14-4-7-20(8-5-14)11-17-13(3)6-9-21-17/h6,9-10,12,14H,4-5,7-8,11H2,1-3H3,(H,18,19)
InChIKeyDEZVHPXWBYNBJI-UHFFFAOYSA-N
MW303.48 g/mol
LogP4.28
Rot. Bonds4

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

1-[(3-methylthiophen-2-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine (PubChem CID 56714764) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is 1-[(3-methylthiophen-2-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[(3-methylthiophen-2-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
PubChem CID56714764
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC Name1-[(3-methylthiophen-2-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
SMILESCc1ccsc1CN1CCC(c2cc(C(C)C)n[nH]2)CC1
InChIInChI=1S/C17H25N3S/c1-12(2)15-10-16(19-18-15)14-4-7-20(8-5-14)11-17-13(3)6-9-21-17/h6,9-10,12,14H,4-5,7-8,11H2,1-3H3,(H,18,19)
InChIKeyDEZVHPXWBYNBJI-UHFFFAOYSA-N
XLogP4.28
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylthiophen-2-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-[(3-methylthiophen-2-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine (CID 56714764) is 1-[(3-methylthiophen-2-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-[(3-methylthiophen-2-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-[(3-methylthiophen-2-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine is Cc1ccsc1CN1CCC(c2cc(C(C)C)n[nH]2)CC1.
What is the InChIKey of 1-[(3-methylthiophen-2-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine?
The InChIKey is DEZVHPXWBYNBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-12(2)15-10-16(19-18-15)14-4-7-20(8-5-14)11-17-13(3)6-9-21-17/h6,9-10,12,14H,4-5,7-8,11H2,1-3H3,(H,18,19).
What are the key properties of 1-[(3-methylthiophen-2-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine?
1-[(3-methylthiophen-2-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine has a molecular weight of 303.48 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylthiophen-2-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 56714764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).