(2R)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N,2-dimethylbutan-1-amine

C13H25N3 — CID 97335185

IUPAC(2R)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N,2-dimethylbutan-1-amine
SMILESCCc1nn(C)cc1CN(C)C[C@H](C)CC
InChIInChI=1S/C13H25N3/c1-6-11(3)8-15(4)9-12-10-16(5)14-13(12)7-2/h10-11H,6-9H2,1-5H3/t11-/m1/s1
InChIKeyIGWLSKDVFZDZBP-LLVKDONJSA-N
MW223.36 g/mol
LogP2.46
Rot. Bonds6

About (2R)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N,2-dimethylbutan-1-amine

(2R)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N,2-dimethylbutan-1-amine (PubChem CID 97335185) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is (2R)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name(2R)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N,2-dimethylbutan-1-amine
PubChem CID97335185
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name(2R)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N,2-dimethylbutan-1-amine
SMILESCCc1nn(C)cc1CN(C)C[C@H](C)CC
InChIInChI=1S/C13H25N3/c1-6-11(3)8-15(4)9-12-10-16(5)14-13(12)7-2/h10-11H,6-9H2,1-5H3/t11-/m1/s1
InChIKeyIGWLSKDVFZDZBP-LLVKDONJSA-N
XLogP2.46
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-1-methylpyrazol-4-yl)butan-2-amine
CID 112669719
1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutan-2-amine
CID 112669727
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbutan-1-amine
CID 112549127
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4-dimethylpentan-1-amine
CID 114200176
2-[ethyl-[(3-ethyl-1-methylpyrazol-4-yl)methyl]amino]-2-methylpropanoic acid
CID 112671409
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 112549169
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 112669262
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 103898846
N'-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanimidamide
CID 112672029
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
(2S)-N-ethyl-N,2-dimethylbutan-1-amine
CID 89086806
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-pentan-3-ylpropanamide
CID 115886870

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N,2-dimethylbutan-1-amine?
The IUPAC name of (2R)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N,2-dimethylbutan-1-amine (CID 97335185) is (2R)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N,2-dimethylbutan-1-amine.
What is the SMILES notation for (2R)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N,2-dimethylbutan-1-amine?
The canonical SMILES for (2R)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N,2-dimethylbutan-1-amine is CCc1nn(C)cc1CN(C)C[C@H](C)CC.
What is the InChIKey of (2R)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N,2-dimethylbutan-1-amine?
The InChIKey is IGWLSKDVFZDZBP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-11(3)8-15(4)9-12-10-16(5)14-13(12)7-2/h10-11H,6-9H2,1-5H3/t11-/m1/s1.
What are the key properties of (2R)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N,2-dimethylbutan-1-amine?
(2R)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N,2-dimethylbutan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 97335185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).