N-[cyclopropyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine

C14H25N3 — CID 105157194

IUPACN-[cyclopropyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(CC)nn1CC)C1CC1
InChIInChI=1S/C14H25N3/c1-4-9-15-14(11-7-8-11)13-10-12(5-2)16-17(13)6-3/h10-11,14-15H,4-9H2,1-3H3
InChIKeyKQMHZESSVOZUSW-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.92
Rot. Bonds7

About N-[cyclopropyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine

N-[cyclopropyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine (PubChem CID 105157194) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[cyclopropyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
PubChem CID105157194
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[cyclopropyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(CC)nn1CC)C1CC1
InChIInChI=1S/C14H25N3/c1-4-9-15-14(11-7-8-11)13-10-12(5-2)16-17(13)6-3/h10-11,14-15H,4-9H2,1-3H3
InChIKeyKQMHZESSVOZUSW-UHFFFAOYSA-N
XLogP2.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105079721
N-[2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine
CID 105135714
1-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine
CID 105079431
N-[(1,3-diethylpyrazol-5-yl)-(3,5-dimethylcyclohexyl)methyl]ethanamine
CID 105154223
[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]hydrazine
CID 105282054
cyclopropyl-(1,3-diethylpyrazol-5-yl)methanamine
CID 105157155
N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 105147499
(1,3-diethylpyrazol-5-yl)-(4-methylcyclohexyl)methanol
CID 105102592
1-(1,3-diethylpyrazol-5-yl)-5-methyl-N-propylhexan-1-amine
CID 105177082
N-[(2-ethyl-5-methylpyrazol-3-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107139280
N-[(3-ethylcyclohexyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105156057
N-[(2-ethylpyrazol-3-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 65334450

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclopropyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine (CID 105157194) is N-[cyclopropyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopropyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclopropyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine is CCCNC(c1cc(CC)nn1CC)C1CC1.
What is the InChIKey of N-[cyclopropyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine?
The InChIKey is KQMHZESSVOZUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-9-15-14(11-7-8-11)13-10-12(5-2)16-17(13)6-3/h10-11,14-15H,4-9H2,1-3H3.
What are the key properties of N-[cyclopropyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine?
N-[cyclopropyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 105157194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).