N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-(1-methylpyrrol-2-yl)methanamine

C12H18N4 — CID 134795374

IUPACN-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-(1-methylpyrrol-2-yl)methanamine
SMILESCN(Cc1cccn1C)Cc1ccnn1C
InChIInChI=1S/C12H18N4/c1-14(9-11-5-4-8-15(11)2)10-12-6-7-13-16(12)3/h4-8H,9-10H2,1-3H3
InChIKeyPSAFEADWKRFKQC-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.39
Rot. Bonds4

About N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-(1-methylpyrrol-2-yl)methanamine

N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-(1-methylpyrrol-2-yl)methanamine (PubChem CID 134795374) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-(1-methylpyrrol-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-(1-methylpyrrol-2-yl)methanamine
PubChem CID134795374
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-(1-methylpyrrol-2-yl)methanamine
SMILESCN(Cc1cccn1C)Cc1ccnn1C
InChIInChI=1S/C12H18N4/c1-14(9-11-5-4-8-15(11)2)10-12-6-7-13-16(12)3/h4-8H,9-10H2,1-3H3
InChIKeyPSAFEADWKRFKQC-UHFFFAOYSA-N
XLogP1.39
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-(1-methylpyrrol-2-yl)methanamine?
The IUPAC name of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-(1-methylpyrrol-2-yl)methanamine (CID 134795374) is N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-(1-methylpyrrol-2-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-(1-methylpyrrol-2-yl)methanamine?
The canonical SMILES for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-(1-methylpyrrol-2-yl)methanamine is CN(Cc1cccn1C)Cc1ccnn1C.
What is the InChIKey of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-(1-methylpyrrol-2-yl)methanamine?
The InChIKey is PSAFEADWKRFKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-14(9-11-5-4-8-15(11)2)10-12-6-7-13-16(12)3/h4-8H,9-10H2,1-3H3.
What are the key properties of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-(1-methylpyrrol-2-yl)methanamine?
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-(1-methylpyrrol-2-yl)methanamine has a molecular weight of 218.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-(1-methylpyrrol-2-yl)methanamine is sourced from PubChem (CID 134795374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).