N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine

C17H20N4 — CID 61284885

IUPACN-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine
SMILESCc1cc(CNCc2ccn[nH]2)c(C)n1-c1ccccc1
InChIInChI=1S/C17H20N4/c1-13-10-15(11-18-12-16-8-9-19-20-16)14(2)21(13)17-6-4-3-5-7-17/h3-10,18H,11-12H2,1-2H3,(H,19,20)
InChIKeyZPAQRZPENLXQPQ-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.11
Rot. Bonds5

About N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine

N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine (PubChem CID 61284885) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine
PubChem CID61284885
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine
SMILESCc1cc(CNCc2ccn[nH]2)c(C)n1-c1ccccc1
InChIInChI=1S/C17H20N4/c1-13-10-15(11-18-12-16-8-9-19-20-16)14(2)21(13)17-6-4-3-5-7-17/h3-10,18H,11-12H2,1-2H3,(H,19,20)
InChIKeyZPAQRZPENLXQPQ-UHFFFAOYSA-N
XLogP3.11
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine?
The IUPAC name of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine (CID 61284885) is N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine?
The canonical SMILES for N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine is Cc1cc(CNCc2ccn[nH]2)c(C)n1-c1ccccc1.
What is the InChIKey of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine?
The InChIKey is ZPAQRZPENLXQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-13-10-15(11-18-12-16-8-9-19-20-16)14(2)21(13)17-6-4-3-5-7-17/h3-10,18H,11-12H2,1-2H3,(H,19,20).
What are the key properties of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine?
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine has a molecular weight of 280.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 61284885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).