N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine

C19H29N5O — CID 51105081

IUPACN-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
SMILESCOc1c(CNC2CCN(c3ccccn3)CC2)c(C(C)C)nn1C
InChIInChI=1S/C19H29N5O/c1-14(2)18-16(19(25-4)23(3)22-18)13-21-15-8-11-24(12-9-15)17-7-5-6-10-20-17/h5-7,10,14-15,21H,8-9,11-13H2,1-4H3
InChIKeyZIPZASIIPIWXHU-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.71
Rot. Bonds6

About N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine

N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine (PubChem CID 51105081) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
PubChem CID51105081
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC NameN-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
SMILESCOc1c(CNC2CCN(c3ccccn3)CC2)c(C(C)C)nn1C
InChIInChI=1S/C19H29N5O/c1-14(2)18-16(19(25-4)23(3)22-18)13-21-15-8-11-24(12-9-15)17-7-5-6-10-20-17/h5-7,10,14-15,21H,8-9,11-13H2,1-4H3
InChIKeyZIPZASIIPIWXHU-UHFFFAOYSA-N
XLogP2.71
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
The IUPAC name of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine (CID 51105081) is N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
The canonical SMILES for N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine is COc1c(CNC2CCN(c3ccccn3)CC2)c(C(C)C)nn1C.
What is the InChIKey of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
The InChIKey is ZIPZASIIPIWXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-14(2)18-16(19(25-4)23(3)22-18)13-21-15-8-11-24(12-9-15)17-7-5-6-10-20-17/h5-7,10,14-15,21H,8-9,11-13H2,1-4H3.
What are the key properties of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine has a molecular weight of 343.48 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine is sourced from PubChem (CID 51105081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).