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

C12H22N4 — CID 60857021

IUPAC1-(1-ethylpyrrolidin-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCCN1CCC(CNCc2cn[nH]c2C)C1
InChIInChI=1S/C12H22N4/c1-3-16-5-4-11(9-16)6-13-7-12-8-14-15-10(12)2/h8,11,13H,3-7,9H2,1-2H3,(H,14,15)
InChIKeyQZYRZIQJDMOGIP-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.15
Rot. Bonds5

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

1-(1-ethylpyrrolidin-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 60857021) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID60857021
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-(1-ethylpyrrolidin-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCCN1CCC(CNCc2cn[nH]c2C)C1
InChIInChI=1S/C12H22N4/c1-3-16-5-4-11(9-16)6-13-7-12-8-14-15-10(12)2/h8,11,13H,3-7,9H2,1-2H3,(H,14,15)
InChIKeyQZYRZIQJDMOGIP-UHFFFAOYSA-N
XLogP1.15
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-1-ethylpyrrolidin-3-yl]-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 94194229
1-(1-ethylpyrrolidin-3-yl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760477
1-(1,4-dimethylpiperazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 63897981
2-[2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]phenyl]acetic acid
CID 115461655
N-[(5-chloro-2-fluorophenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 115761800
4-(ethylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106015085
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 128974915
N-[(2,4-dichlorophenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60856676
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60855695
N-(1-benzofuran-3-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 80701048
1-(1-ethylpyrrolidin-3-yl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 55109731
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60855864

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1-ethylpyrrolidin-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine (CID 60857021) is 1-(1-ethylpyrrolidin-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-ethylpyrrolidin-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1-ethylpyrrolidin-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine is CCN1CCC(CNCc2cn[nH]c2C)C1.
What is the InChIKey of 1-(1-ethylpyrrolidin-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is QZYRZIQJDMOGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-16-5-4-11(9-16)6-13-7-12-8-14-15-10(12)2/h8,11,13H,3-7,9H2,1-2H3,(H,14,15).
What are the key properties of 1-(1-ethylpyrrolidin-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
1-(1-ethylpyrrolidin-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 222.34 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 60857021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).