N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine

C14H26N4 — CID 115761556

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine
SMILESCCn1nccc1CNCCCN1CCCCC1
InChIInChI=1S/C14H26N4/c1-2-18-14(7-9-16-18)13-15-8-6-12-17-10-4-3-5-11-17/h7,9,15H,2-6,8,10-13H2,1H3
InChIKeyGATUGZJRGRUOGD-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.87
Rot. Bonds7

About N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine

N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine (PubChem CID 115761556) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine
PubChem CID115761556
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine
SMILESCCn1nccc1CNCCCN1CCCCC1
InChIInChI=1S/C14H26N4/c1-2-18-14(7-9-16-18)13-15-8-6-12-17-10-4-3-5-11-17/h7,9,15H,2-6,8,10-13H2,1H3
InChIKeyGATUGZJRGRUOGD-UHFFFAOYSA-N
XLogP1.87
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 126965875
N-[(2-ethylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923234
N-[(1-ethylpyrrol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 66411888
N-[(2-ethylpyrazol-3-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 113334932
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride
CID 126964497
2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 115761675
3-(4-methylpiperidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43663301
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761680
N-(1,2-oxazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 103605761
3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
CID 114554889
3-pyrrolidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103437796

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine (CID 115761556) is N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine is CCn1nccc1CNCCCN1CCCCC1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine?
The InChIKey is GATUGZJRGRUOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-2-18-14(7-9-16-18)13-15-8-6-12-17-10-4-3-5-11-17/h7,9,15H,2-6,8,10-13H2,1H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine?
N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 115761556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).