N-ethyl-1-(1-methylpyrazol-3-yl)heptan-4-amine

C13H25N3 — CID 82870752

IUPACN-ethyl-1-(1-methylpyrazol-3-yl)heptan-4-amine
SMILESCCCC(CCCc1ccn(C)n1)NCC
InChIInChI=1S/C13H25N3/c1-4-7-12(14-5-2)8-6-9-13-10-11-16(3)15-13/h10-12,14H,4-9H2,1-3H3
InChIKeyKITAWJYWMFZHED-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.52
Rot. Bonds8

About N-ethyl-1-(1-methylpyrazol-3-yl)heptan-4-amine

N-ethyl-1-(1-methylpyrazol-3-yl)heptan-4-amine (PubChem CID 82870752) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-ethyl-1-(1-methylpyrazol-3-yl)heptan-4-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylpyrazol-3-yl)heptan-4-amine
PubChem CID82870752
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-ethyl-1-(1-methylpyrazol-3-yl)heptan-4-amine
SMILESCCCC(CCCc1ccn(C)n1)NCC
InChIInChI=1S/C13H25N3/c1-4-7-12(14-5-2)8-6-9-13-10-11-16(3)15-13/h10-12,14H,4-9H2,1-3H3
InChIKeyKITAWJYWMFZHED-UHFFFAOYSA-N
XLogP2.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpyrazol-3-yl)-N-propylheptan-4-amine
CID 82870874
1-(1-methylpyrazol-3-yl)heptan-4-ol
CID 82872149
N-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82877898
4-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)butan-2-amine
CID 105175167
1-(1-methylpyrazol-3-yl)hexan-3-amine
CID 82869047
1-cyclopropyl-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876237
N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-2-amine
CID 82876652
4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-3-amine
CID 82870384
N-ethyl-1-(1-methyltriazol-4-yl)hexan-3-amine
CID 107044590
1-(4-chlorophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 104629221
1-cyclopropyl-4-(1-methylpyrazol-3-yl)butan-1-ol
CID 82870522
3-(3-bromopentyl)-1-methylpyrazole
CID 82877302

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylpyrazol-3-yl)heptan-4-amine?
The IUPAC name of N-ethyl-1-(1-methylpyrazol-3-yl)heptan-4-amine (CID 82870752) is N-ethyl-1-(1-methylpyrazol-3-yl)heptan-4-amine.
What is the SMILES notation for N-ethyl-1-(1-methylpyrazol-3-yl)heptan-4-amine?
The canonical SMILES for N-ethyl-1-(1-methylpyrazol-3-yl)heptan-4-amine is CCCC(CCCc1ccn(C)n1)NCC.
What is the InChIKey of N-ethyl-1-(1-methylpyrazol-3-yl)heptan-4-amine?
The InChIKey is KITAWJYWMFZHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-7-12(14-5-2)8-6-9-13-10-11-16(3)15-13/h10-12,14H,4-9H2,1-3H3.
What are the key properties of N-ethyl-1-(1-methylpyrazol-3-yl)heptan-4-amine?
N-ethyl-1-(1-methylpyrazol-3-yl)heptan-4-amine has a molecular weight of 223.36 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methylpyrazol-3-yl)heptan-4-amine is sourced from PubChem (CID 82870752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).