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

C12H18N4 — CID 82882107

IUPACN-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
SMILESCCn1cccc1CNCc1ccn(C)n1
InChIInChI=1S/C12H18N4/c1-3-16-7-4-5-12(16)10-13-9-11-6-8-15(2)14-11/h4-8,13H,3,9-10H2,1-2H3
InChIKeyDJCOYTROIZCRSD-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.53
Rot. Bonds5

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

N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine (PubChem CID 82882107) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
PubChem CID82882107
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
SMILESCCn1cccc1CNCc1ccn(C)n1
InChIInChI=1S/C12H18N4/c1-3-16-7-4-5-12(16)10-13-9-11-6-8-15(2)14-11/h4-8,13H,3,9-10H2,1-2H3
InChIKeyDJCOYTROIZCRSD-UHFFFAOYSA-N
XLogP1.53
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625389
1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19618962
N-[(1-ethylpyrrol-2-yl)methyl]-2-imidazol-1-ylethanamine
CID 66413353
1-(1-methylpyrazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884404
1-(1-methylpyrazol-3-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 78948033
2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile
CID 82881600
1-(1-ethylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 66411304
N-[(2-chlorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78920973
N-[(5-ethylfuran-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 82882280
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 122167100
N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 122166525
1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol
CID 66411513

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine (CID 82882107) is N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine is CCn1cccc1CNCc1ccn(C)n1.
What is the InChIKey of N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The InChIKey is DJCOYTROIZCRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-3-16-7-4-5-12(16)10-13-9-11-6-8-15(2)14-11/h4-8,13H,3,9-10H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine has a molecular weight of 218.30 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 82882107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).