1-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine

C22H33N5 — CID 47611144

IUPAC1-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine
SMILESCn1cc(CNCC2(N3CCCCC3)CCCCC2)c(-c2cccnc2)n1
InChIInChI=1S/C22H33N5/c1-26-17-20(21(25-26)19-9-8-12-23-15-19)16-24-18-22(10-4-2-5-11-22)27-13-6-3-7-14-27/h8-9,12,15,17,24H,2-7,10-11,13-14,16,18H2,1H3
InChIKeyUVBYVYSIGUYFIR-UHFFFAOYSA-N
MW367.54 g/mol
LogP3.76
Rot. Bonds6

About 1-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine

1-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine (PubChem CID 47611144) has the molecular formula C22H33N5 and a molecular weight of 367.54 g/mol. Its IUPAC name is 1-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine
PubChem CID47611144
Molecular FormulaC22H33N5
Molecular Weight367.54 g/mol
Exact Mass367.27
IUPAC Name1-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine
SMILESCn1cc(CNCC2(N3CCCCC3)CCCCC2)c(-c2cccnc2)n1
InChIInChI=1S/C22H33N5/c1-26-17-20(21(25-26)19-9-8-12-23-15-19)16-24-18-22(10-4-2-5-11-22)27-13-6-3-7-14-27/h8-9,12,15,17,24H,2-7,10-11,13-14,16,18H2,1H3
InChIKeyUVBYVYSIGUYFIR-UHFFFAOYSA-N
XLogP3.76
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine?
The IUPAC name of 1-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine (CID 47611144) is 1-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine.
What is the SMILES notation for 1-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine?
The canonical SMILES for 1-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine is Cn1cc(CNCC2(N3CCCCC3)CCCCC2)c(-c2cccnc2)n1.
What is the InChIKey of 1-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine?
The InChIKey is UVBYVYSIGUYFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5/c1-26-17-20(21(25-26)19-9-8-12-23-15-19)16-24-18-22(10-4-2-5-11-22)27-13-6-3-7-14-27/h8-9,12,15,17,24H,2-7,10-11,13-14,16,18H2,1H3.
What are the key properties of 1-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine?
1-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine has a molecular weight of 367.54 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine is sourced from PubChem (CID 47611144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).