5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1-methylpyrazol-3-amine

C18H27N5 — CID 146287766

IUPAC5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1-methylpyrazol-3-amine
SMILESCc1cc(C[C@H]2CCCN(Cc3cc(N)nn3C)C2)cc(C)n1
InChIInChI=1S/C18H27N5/c1-13-7-16(8-14(2)20-13)9-15-5-4-6-23(11-15)12-17-10-18(19)21-22(17)3/h7-8,10,15H,4-6,9,11-12H2,1-3H3,(H2,19,21)/t15-/m1/s1
InChIKeyBPFQZNXJTXWBQX-OAHLLOKOSA-N
MW313.45 g/mol
LogP2.47
Rot. Bonds4

About 5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1-methylpyrazol-3-amine

5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1-methylpyrazol-3-amine (PubChem CID 146287766) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1-methylpyrazol-3-amine
PubChem CID146287766
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1-methylpyrazol-3-amine
SMILESCc1cc(C[C@H]2CCCN(Cc3cc(N)nn3C)C2)cc(C)n1
InChIInChI=1S/C18H27N5/c1-13-7-16(8-14(2)20-13)9-15-5-4-6-23(11-15)12-17-10-18(19)21-22(17)3/h7-8,10,15H,4-6,9,11-12H2,1-3H3,(H2,19,21)/t15-/m1/s1
InChIKeyBPFQZNXJTXWBQX-OAHLLOKOSA-N
XLogP2.47
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1-methylpyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1-methylpyrazol-3-amine?
The IUPAC name of 5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1-methylpyrazol-3-amine (CID 146287766) is 5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for 5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1-methylpyrazol-3-amine?
The canonical SMILES for 5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1-methylpyrazol-3-amine is Cc1cc(C[C@H]2CCCN(Cc3cc(N)nn3C)C2)cc(C)n1.
What is the InChIKey of 5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1-methylpyrazol-3-amine?
The InChIKey is BPFQZNXJTXWBQX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N5/c1-13-7-16(8-14(2)20-13)9-15-5-4-6-23(11-15)12-17-10-18(19)21-22(17)3/h7-8,10,15H,4-6,9,11-12H2,1-3H3,(H2,19,21)/t15-/m1/s1.
What are the key properties of 5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1-methylpyrazol-3-amine?
5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1-methylpyrazol-3-amine has a molecular weight of 313.45 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 146287766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).