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

C12H18N4 — CID 66414611

IUPAC1-(1-ethylpyrrol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
SMILESCCn1ccc(CNCc2ccnn2C)c1
InChIInChI=1S/C12H18N4/c1-3-16-7-5-11(10-16)8-13-9-12-4-6-14-15(12)2/h4-7,10,13H,3,8-9H2,1-2H3
InChIKeyBKKQQHARQUXBGE-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.53
Rot. Bonds5

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

1-(1-ethylpyrrol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine (PubChem CID 66414611) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(1-ethylpyrrol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrrol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
PubChem CID66414611
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name1-(1-ethylpyrrol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
SMILESCCn1ccc(CNCc2ccnn2C)c1
InChIInChI=1S/C12H18N4/c1-3-16-7-5-11(10-16)8-13-9-12-4-6-14-15(12)2/h4-7,10,13H,3,8-9H2,1-2H3
InChIKeyBKKQQHARQUXBGE-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

N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-4-ylmethanamine
CID 19626583
1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19618976
1-(2-methylpyrazol-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103674015
2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-3-yl]methyl]ethanamine
CID 103005563
1-(1-ethylpyrrol-3-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415106
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine
CID 19626584
1-(1-ethylpyrrol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114698750
1-(1-ethylpyrrol-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 66415171
1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625004
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine;hydrochloride
CID 126963928
N-[(1-ethylcyclopropyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 103735396
N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 115693281

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(1-ethylpyrrol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine (CID 66414611) is 1-(1-ethylpyrrol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-ethylpyrrol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(1-ethylpyrrol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine is CCn1ccc(CNCc2ccnn2C)c1.
What is the InChIKey of 1-(1-ethylpyrrol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The InChIKey is BKKQQHARQUXBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-3-16-7-5-11(10-16)8-13-9-12-4-6-14-15(12)2/h4-7,10,13H,3,8-9H2,1-2H3.
What are the key properties of 1-(1-ethylpyrrol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
1-(1-ethylpyrrol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]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 1-(1-ethylpyrrol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 66414611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).