1-(1-ethylpyrrol-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine

C12H18N4 — CID 66415561

IUPAC1-(1-ethylpyrrol-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCCn1ccc(CNCc2cn[nH]c2C)c1
InChIInChI=1S/C12H18N4/c1-3-16-5-4-11(9-16)6-13-7-12-8-14-15-10(12)2/h4-5,8-9,13H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyJIBDGBPINVFUGO-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.83
Rot. Bonds5

About 1-(1-ethylpyrrol-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine

1-(1-ethylpyrrol-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 66415561) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(1-ethylpyrrol-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrrol-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID66415561
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name1-(1-ethylpyrrol-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCCn1ccc(CNCc2cn[nH]c2C)c1
InChIInChI=1S/C12H18N4/c1-3-16-5-4-11(9-16)6-13-7-12-8-14-15-10(12)2/h4-5,8-9,13H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyJIBDGBPINVFUGO-UHFFFAOYSA-N
XLogP1.83
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpyrrol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114698750
1-[4-(imidazol-1-ylmethyl)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 86808687
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 86776389
N-[(1-ethylpyrrol-3-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine
CID 66414199
1-[4-(methoxymethyl)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride
CID 86808500
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1-ethylpyrrol-3-yl)methanamine
CID 112668399
1-(3,4-dimethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 43435343
N-[(1-methylimidazol-2-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine
CID 62350133
1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 86808486
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 60761461
1-(3-chloro-4-methoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 65021379
1-(3-methoxy-4-propoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 86776395

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrol-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1-ethylpyrrol-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine (CID 66415561) is 1-(1-ethylpyrrol-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-ethylpyrrol-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1-ethylpyrrol-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine is CCn1ccc(CNCc2cn[nH]c2C)c1.
What is the InChIKey of 1-(1-ethylpyrrol-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is JIBDGBPINVFUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-3-16-5-4-11(9-16)6-13-7-12-8-14-15-10(12)2/h4-5,8-9,13H,3,6-7H2,1-2H3,(H,14,15).
What are the key properties of 1-(1-ethylpyrrol-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
1-(1-ethylpyrrol-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 218.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrol-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 66415561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).