N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine

C17H22N6 — CID 86808153

IUPACN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine
SMILESCC(C)c1nn(C)cc1CNCc1ccc(-n2cccn2)nc1
InChIInChI=1S/C17H22N6/c1-13(2)17-15(12-22(3)21-17)11-18-9-14-5-6-16(19-10-14)23-8-4-7-20-23/h4-8,10,12-13,18H,9,11H2,1-3H3
InChIKeyIKGRNLUUKYOYMV-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.41
Rot. Bonds6

About N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine

N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine (PubChem CID 86808153) has the molecular formula C17H22N6 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine
PubChem CID86808153
Molecular FormulaC17H22N6
Molecular Weight310.40 g/mol
Exact Mass310.19
IUPAC NameN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine
SMILESCC(C)c1nn(C)cc1CNCc1ccc(-n2cccn2)nc1
InChIInChI=1S/C17H22N6/c1-13(2)17-15(12-22(3)21-17)11-18-9-14-5-6-16(19-10-14)23-8-4-7-20-23/h4-8,10,12-13,18H,9,11H2,1-3H3
InChIKeyIKGRNLUUKYOYMV-UHFFFAOYSA-N
XLogP2.41
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine?
The IUPAC name of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine (CID 86808153) is N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine?
The canonical SMILES for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine is CC(C)c1nn(C)cc1CNCc1ccc(-n2cccn2)nc1.
What is the InChIKey of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine?
The InChIKey is IKGRNLUUKYOYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-13(2)17-15(12-22(3)21-17)11-18-9-14-5-6-16(19-10-14)23-8-4-7-20-23/h4-8,10,12-13,18H,9,11H2,1-3H3.
What are the key properties of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine?
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine has a molecular weight of 310.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine is sourced from PubChem (CID 86808153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).