N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine

C20H27N5O2 — CID 42520512

IUPACN-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine
SMILESCOc1ccc(-c2[nH]ncc2CN(Cc2nccn2C)C(C)C)c(OC)c1
InChIInChI=1S/C20H27N5O2/c1-14(2)25(13-19-21-8-9-24(19)3)12-15-11-22-23-20(15)17-7-6-16(26-4)10-18(17)27-5/h6-11,14H,12-13H2,1-5H3,(H,22,23)
InChIKeyFUCBAXXQBPBKFL-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.24
Rot. Bonds8

About N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine

N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine (PubChem CID 42520512) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine
PubChem CID42520512
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine
SMILESCOc1ccc(-c2[nH]ncc2CN(Cc2nccn2C)C(C)C)c(OC)c1
InChIInChI=1S/C20H27N5O2/c1-14(2)25(13-19-21-8-9-24(19)3)12-15-11-22-23-20(15)17-7-6-16(26-4)10-18(17)27-5/h6-11,14H,12-13H2,1-5H3,(H,22,23)
InChIKeyFUCBAXXQBPBKFL-UHFFFAOYSA-N
XLogP3.24
TPSA68.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine (CID 42520512) is N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine is COc1ccc(-c2[nH]ncc2CN(Cc2nccn2C)C(C)C)c(OC)c1.
What is the InChIKey of N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine?
The InChIKey is FUCBAXXQBPBKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14(2)25(13-19-21-8-9-24(19)3)12-15-11-22-23-20(15)17-7-6-16(26-4)10-18(17)27-5/h6-11,14H,12-13H2,1-5H3,(H,22,23).
What are the key properties of N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine?
N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine has a molecular weight of 369.47 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 42520512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).