1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-amine

C17H24N4 — CID 107109823

IUPAC1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-amine
SMILESCc1ccc(CN2CCC(n3ccc(N)n3)CC2)cc1C
InChIInChI=1S/C17H24N4/c1-13-3-4-15(11-14(13)2)12-20-8-5-16(6-9-20)21-10-7-17(18)19-21/h3-4,7,10-11,16H,5-6,8-9,12H2,1-2H3,(H2,18,19)
InChIKeyFSERHNNFCRIOLG-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.92
Rot. Bonds3

About 1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-amine

1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-amine (PubChem CID 107109823) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-amine
PubChem CID107109823
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-amine
SMILESCc1ccc(CN2CCC(n3ccc(N)n3)CC2)cc1C
InChIInChI=1S/C17H24N4/c1-13-3-4-15(11-14(13)2)12-20-8-5-16(6-9-20)21-10-7-17(18)19-21/h3-4,7,10-11,16H,5-6,8-9,12H2,1-2H3,(H2,18,19)
InChIKeyFSERHNNFCRIOLG-UHFFFAOYSA-N
XLogP2.92
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-amine
CID 107109946
1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-amine
CID 107109920
1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyrazol-3-amine
CID 107109996
1-[1-(2-cyclopropylethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109993
1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrazol-3-amine
CID 107110097
4-[(4-ethylpiperidin-1-yl)methyl]-2-methylaniline
CID 61421994
1-(1-nonylpiperidin-4-yl)pyrazol-3-amine
CID 107109618
1-(1-heptylpiperidin-4-yl)pyrazol-3-amine
CID 107109683
4-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methylbutan-2-ol
CID 107109591
1-[1-(2-propan-2-ylsulfonylethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109951
1-[1-(2-butoxyethyl)piperidin-4-yl]pyrazol-3-amine
CID 107110055
1-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109686

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-amine?
The IUPAC name of 1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-amine (CID 107109823) is 1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-amine.
What is the SMILES notation for 1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-amine?
The canonical SMILES for 1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-amine is Cc1ccc(CN2CCC(n3ccc(N)n3)CC2)cc1C.
What is the InChIKey of 1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-amine?
The InChIKey is FSERHNNFCRIOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13-3-4-15(11-14(13)2)12-20-8-5-16(6-9-20)21-10-7-17(18)19-21/h3-4,7,10-11,16H,5-6,8-9,12H2,1-2H3,(H2,18,19).
What are the key properties of 1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-amine?
1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-amine has a molecular weight of 284.41 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-amine is sourced from PubChem (CID 107109823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).