N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylpiperidin-4-amine

C20H24N4O — CID 47621541

IUPACN-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylpiperidin-4-amine
SMILESCc1ccc(-c2[nH]ncc2CNC2CCN(c3ccccc3)CC2)o1
InChIInChI=1S/C20H24N4O/c1-15-7-8-19(25-15)20-16(14-22-23-20)13-21-17-9-11-24(12-10-17)18-5-3-2-4-6-18/h2-8,14,17,21H,9-13H2,1H3,(H,22,23)
InChIKeyDECREPQREYWQGF-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.74
Rot. Bonds5

About N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylpiperidin-4-amine

N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylpiperidin-4-amine (PubChem CID 47621541) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylpiperidin-4-amine
PubChem CID47621541
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylpiperidin-4-amine
SMILESCc1ccc(-c2[nH]ncc2CNC2CCN(c3ccccc3)CC2)o1
InChIInChI=1S/C20H24N4O/c1-15-7-8-19(25-15)20-16(14-22-23-20)13-21-17-9-11-24(12-10-17)18-5-3-2-4-6-18/h2-8,14,17,21H,9-13H2,1H3,(H,22,23)
InChIKeyDECREPQREYWQGF-UHFFFAOYSA-N
XLogP3.74
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 86808598
2-methyl-1-[4-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]propan-1-one
CID 86808112
3-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 86772890
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine
CID 47611512
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylpiperidin-4-amine
CID 103096785
[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]cyclohexyl]methanol
CID 106359756
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]butan-2-amine
CID 43756376
2,4,4-trimethyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pentan-2-amine
CID 43788231
2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid
CID 43774244
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpiperidin-4-amine
CID 103625271
1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]-3-phenylpropan-2-ol
CID 111104767
(3S,4R)-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine
CID 120769920

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylpiperidin-4-amine?
The IUPAC name of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylpiperidin-4-amine (CID 47621541) is N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylpiperidin-4-amine.
What is the SMILES notation for N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylpiperidin-4-amine?
The canonical SMILES for N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylpiperidin-4-amine is Cc1ccc(-c2[nH]ncc2CNC2CCN(c3ccccc3)CC2)o1.
What is the InChIKey of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylpiperidin-4-amine?
The InChIKey is DECREPQREYWQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15-7-8-19(25-15)20-16(14-22-23-20)13-21-17-9-11-24(12-10-17)18-5-3-2-4-6-18/h2-8,14,17,21H,9-13H2,1H3,(H,22,23).
What are the key properties of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylpiperidin-4-amine?
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylpiperidin-4-amine has a molecular weight of 336.44 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylpiperidin-4-amine is sourced from PubChem (CID 47621541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).