2-[(1-methylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide

C18H22N6O — CID 75449927

IUPAC2-[(1-methylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide
SMILESCn1cc(CC(CNCc2ccc(-n3cccn3)cc2)C(N)=O)cn1
InChIInChI=1S/C18H22N6O/c1-23-13-15(11-22-23)9-16(18(19)25)12-20-10-14-3-5-17(6-4-14)24-8-2-7-21-24/h2-8,11,13,16,20H,9-10,12H2,1H3,(H2,19,25)
InChIKeyCVUUCNWHQTYBIF-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.04
Rot. Bonds8

About 2-[(1-methylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide

2-[(1-methylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide (PubChem CID 75449927) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide
PubChem CID75449927
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name2-[(1-methylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide
SMILESCn1cc(CC(CNCc2ccc(-n3cccn3)cc2)C(N)=O)cn1
InChIInChI=1S/C18H22N6O/c1-23-13-15(11-22-23)9-16(18(19)25)12-20-10-14-3-5-17(6-4-14)24-8-2-7-21-24/h2-8,11,13,16,20H,9-10,12H2,1H3,(H2,19,25)
InChIKeyCVUUCNWHQTYBIF-UHFFFAOYSA-N
XLogP1.04
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide (CID 75449927) is 2-[(1-methylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide is Cn1cc(CC(CNCc2ccc(-n3cccn3)cc2)C(N)=O)cn1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide?
The InChIKey is CVUUCNWHQTYBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-23-13-15(11-22-23)9-16(18(19)25)12-20-10-14-3-5-17(6-4-14)24-8-2-7-21-24/h2-8,11,13,16,20H,9-10,12H2,1H3,(H2,19,25).
What are the key properties of 2-[(1-methylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide?
2-[(1-methylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide has a molecular weight of 338.42 g/mol, XLogP of 1.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide is sourced from PubChem (CID 75449927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).