N-[(1,3-diethylpyrazol-5-yl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine

C14H25N3 — CID 114108034

IUPACN-[(1,3-diethylpyrazol-5-yl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine
SMILESCCc1cc(CNCC2CC2(C)C)n(CC)n1
InChIInChI=1S/C14H25N3/c1-5-12-7-13(17(6-2)16-12)10-15-9-11-8-14(11,3)4/h7,11,15H,5-6,8-10H2,1-4H3
InChIKeyHKTQMGZFRGONCC-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.60
Rot. Bonds6

About N-[(1,3-diethylpyrazol-5-yl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine

N-[(1,3-diethylpyrazol-5-yl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine (PubChem CID 114108034) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(1,3-diethylpyrazol-5-yl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-[(1,3-diethylpyrazol-5-yl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine
PubChem CID114108034
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[(1,3-diethylpyrazol-5-yl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine
SMILESCCc1cc(CNCC2CC2(C)C)n(CC)n1
InChIInChI=1S/C14H25N3/c1-5-12-7-13(17(6-2)16-12)10-15-9-11-8-14(11,3)4/h7,11,15H,5-6,8-10H2,1-4H3
InChIKeyHKTQMGZFRGONCC-UHFFFAOYSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,3-diethylpyrazol-5-yl)methyl]-3-iodopropan-1-amine
CID 114503610
2-[1-[[(1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114756258
4-bromo-N-[(1,3-diethylpyrazol-5-yl)methyl]butan-1-amine
CID 106844918
N-[3-[(1,3-diethylpyrazol-5-yl)methylamino]propyl]methanesulfonamide
CID 106336236
N-[(1,3-diethylpyrazol-5-yl)methyl]piperidin-1-amine
CID 83013960
N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]ethanamine
CID 81018330
2-[(1,3-diethylpyrazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852272
N-[(1,3-diethylpyrazol-5-yl)methyl]-2-prop-2-enylsulfanylethanamine
CID 106427466
1-[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016860
2-[(1,3-diethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 81013040
1-[(1,3-diethylpyrazol-5-yl)methylamino]-2,4-dimethylpentan-2-ol
CID 66171847
N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017024

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diethylpyrazol-5-yl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine?
The IUPAC name of N-[(1,3-diethylpyrazol-5-yl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine (CID 114108034) is N-[(1,3-diethylpyrazol-5-yl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine.
What is the SMILES notation for N-[(1,3-diethylpyrazol-5-yl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine?
The canonical SMILES for N-[(1,3-diethylpyrazol-5-yl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine is CCc1cc(CNCC2CC2(C)C)n(CC)n1.
What is the InChIKey of N-[(1,3-diethylpyrazol-5-yl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine?
The InChIKey is HKTQMGZFRGONCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-12-7-13(17(6-2)16-12)10-15-9-11-8-14(11,3)4/h7,11,15H,5-6,8-10H2,1-4H3.
What are the key properties of N-[(1,3-diethylpyrazol-5-yl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine?
N-[(1,3-diethylpyrazol-5-yl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine has a molecular weight of 235.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diethylpyrazol-5-yl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine is sourced from PubChem (CID 114108034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).