3-ethyl-1-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazol-4-amine

C11H16N4 — CID 115897990

IUPAC3-ethyl-1-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazol-4-amine
SMILESCCc1nn(C)cc1NCc1cc[nH]c1
InChIInChI=1S/C11H16N4/c1-3-10-11(8-15(2)14-10)13-7-9-4-5-12-6-9/h4-6,8,12-13H,3,7H2,1-2H3
InChIKeyXMWBGCNBYARUPX-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.92
Rot. Bonds4

About 3-ethyl-1-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazol-4-amine

3-ethyl-1-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazol-4-amine (PubChem CID 115897990) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazol-4-amine
PubChem CID115897990
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name3-ethyl-1-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazol-4-amine
SMILESCCc1nn(C)cc1NCc1cc[nH]c1
InChIInChI=1S/C11H16N4/c1-3-10-11(8-15(2)14-10)13-7-9-4-5-12-6-9/h4-6,8,12-13H,3,7H2,1-2H3
InChIKeyXMWBGCNBYARUPX-UHFFFAOYSA-N
XLogP1.92
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-methyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine
CID 107462626
N-[[4-(difluoromethyl)phenyl]methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 107462384
3-ethyl-1-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazol-4-amine
CID 115898042
3-ethyl-1-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-amine
CID 103909014
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031
N-[(2-chlorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909171
3-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrazol-4-amine
CID 103909192
4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-2-carbonitrile
CID 107462739
3-ethyl-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 103909181
N-[(5-chloro-2-fluorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909085
4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol
CID 107462452
3-ethyl-1-methyl-N-pentylpyrazol-4-amine
CID 107462468

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazol-4-amine (CID 115897990) is 3-ethyl-1-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazol-4-amine is CCc1nn(C)cc1NCc1cc[nH]c1.
What is the InChIKey of 3-ethyl-1-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazol-4-amine?
The InChIKey is XMWBGCNBYARUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-3-10-11(8-15(2)14-10)13-7-9-4-5-12-6-9/h4-6,8,12-13H,3,7H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazol-4-amine?
3-ethyl-1-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazol-4-amine has a molecular weight of 204.28 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 115897990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).