N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine

C13H25N3 — CID 115885710

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine
SMILESCCc1nn(C)cc1CNC(C)(CC)CC
InChIInChI=1S/C13H25N3/c1-6-12-11(10-16(5)15-12)9-14-13(4,7-2)8-3/h10,14H,6-9H2,1-5H3
InChIKeyDUTKQUZIIJQRLX-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.65
Rot. Bonds6

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine (PubChem CID 115885710) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine
PubChem CID115885710
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine
SMILESCCc1nn(C)cc1CNC(C)(CC)CC
InChIInChI=1S/C13H25N3/c1-6-12-11(10-16(5)15-12)9-14-13(4,7-2)8-3/h10,14H,6-9H2,1-5H3
InChIKeyDUTKQUZIIJQRLX-UHFFFAOYSA-N
XLogP2.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
CID 114941443
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxy-2-methylpropanamide
CID 103430361
2-(ethylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanamide
CID 112669318
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]formamide
CID 112672097
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline
CID 112549337
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfanylaniline
CID 112549346
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol
CID 112668893
2-tert-butylsulfonyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 103893977
1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol
CID 103893989
2,4,6-tribromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
CID 112668796
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 112669353
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]thiophen-3-amine
CID 112669078

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine (CID 115885710) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine is CCc1nn(C)cc1CNC(C)(CC)CC.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine?
The InChIKey is DUTKQUZIIJQRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-12-11(10-16(5)15-12)9-14-13(4,7-2)8-3/h10,14H,6-9H2,1-5H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine has a molecular weight of 223.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine is sourced from PubChem (CID 115885710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).