N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)-4,5-dimethyl-1H-pyrazol-3-amine

C12H18N4 — CID 163791219

IUPACN-(2-ethyl-3-methyl-2H-pyrrol-5-yl)-4,5-dimethyl-1H-pyrazol-3-amine
SMILESCCC1N=C(Nc2n[nH]c(C)c2C)C=C1C
InChIInChI=1S/C12H18N4/c1-5-10-7(2)6-11(13-10)14-12-8(3)9(4)15-16-12/h6,10H,5H2,1-4H3,(H2,13,14,15,16)
InChIKeyMWXMGYNSEKXHKB-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.58
Rot. Bonds2

About N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)-4,5-dimethyl-1H-pyrazol-3-amine

N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)-4,5-dimethyl-1H-pyrazol-3-amine (PubChem CID 163791219) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)-4,5-dimethyl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-(2-ethyl-3-methyl-2H-pyrrol-5-yl)-4,5-dimethyl-1H-pyrazol-3-amine
PubChem CID163791219
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN-(2-ethyl-3-methyl-2H-pyrrol-5-yl)-4,5-dimethyl-1H-pyrazol-3-amine
SMILESCCC1N=C(Nc2n[nH]c(C)c2C)C=C1C
InChIInChI=1S/C12H18N4/c1-5-10-7(2)6-11(13-10)14-12-8(3)9(4)15-16-12/h6,10H,5H2,1-4H3,(H2,13,14,15,16)
InChIKeyMWXMGYNSEKXHKB-UHFFFAOYSA-N
XLogP2.58
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-Dimethyl-4,7-dihydro-2h-pyrazolo[3,4-b]pyridine
CID 175679326
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CID 53936441
N-ethyl-4,5-dimethyl-1H-pyrazol-3-amine
CID 63047439
4,5-dimethyl-N-propan-2-yl-1H-pyrazol-3-amine
CID 63047637
N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide
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CID 90908208
(2E)-N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)penta-2,4-dienimidamide
CID 123365554
N,3-dimethyl-4-[(E)-3-methylpent-2-enimidoyl]-1-propan-2-ylpyrazol-5-amine
CID 137022497
N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide
CID 145169743
N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide;prop-1-ene
CID 145169746
N'-methyl-2-methylidene-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide;prop-1-ene
CID 145169801
3-amino-N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)but-2-enimidamide
CID 145307272

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)-4,5-dimethyl-1H-pyrazol-3-amine?
The IUPAC name of N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)-4,5-dimethyl-1H-pyrazol-3-amine (CID 163791219) is N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)-4,5-dimethyl-1H-pyrazol-3-amine.
What is the SMILES notation for N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)-4,5-dimethyl-1H-pyrazol-3-amine?
The canonical SMILES for N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)-4,5-dimethyl-1H-pyrazol-3-amine is CCC1N=C(Nc2n[nH]c(C)c2C)C=C1C.
What is the InChIKey of N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)-4,5-dimethyl-1H-pyrazol-3-amine?
The InChIKey is MWXMGYNSEKXHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-5-10-7(2)6-11(13-10)14-12-8(3)9(4)15-16-12/h6,10H,5H2,1-4H3,(H2,13,14,15,16).
What are the key properties of N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)-4,5-dimethyl-1H-pyrazol-3-amine?
N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)-4,5-dimethyl-1H-pyrazol-3-amine has a molecular weight of 218.30 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)-4,5-dimethyl-1H-pyrazol-3-amine is sourced from PubChem (CID 163791219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).