N-(dicyclopropylmethyl)-3-pyrazol-1-ylpropan-1-amine

C13H21N3 — CID 115708587

IUPACN-(dicyclopropylmethyl)-3-pyrazol-1-ylpropan-1-amine
SMILESc1cnn(CCCNC(C2CC2)C2CC2)c1
InChIInChI=1S/C13H21N3/c1(9-16-10-2-8-15-16)7-14-13(11-3-4-11)12-5-6-12/h2,8,10-14H,1,3-7,9H2
InChIKeyJJRUOAMWVBZJQC-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.05
Rot. Bonds7

About N-(dicyclopropylmethyl)-3-pyrazol-1-ylpropan-1-amine

N-(dicyclopropylmethyl)-3-pyrazol-1-ylpropan-1-amine (PubChem CID 115708587) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-3-pyrazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-3-pyrazol-1-ylpropan-1-amine
PubChem CID115708587
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-(dicyclopropylmethyl)-3-pyrazol-1-ylpropan-1-amine
SMILESc1cnn(CCCNC(C2CC2)C2CC2)c1
InChIInChI=1S/C13H21N3/c1(9-16-10-2-8-15-16)7-14-13(11-3-4-11)12-5-6-12/h2,8,10-14H,1,3-7,9H2
InChIKeyJJRUOAMWVBZJQC-UHFFFAOYSA-N
XLogP2.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 28063741
4-(2-(1H-Pyrazol-1-yl)ethyl)piperidine
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CID 66617726
1-[3-(pyrrolidin-2-yl)propyl]-1H-pyrazole
CID 25248382
rac-(1r,3r)-3-[(1H-pyrazol-1-yl)methyl]cyclobutan-1-amine dihydrochloride
CID 137964778
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CID 145909967
N-(1-pyrazol-1-ylpropan-2-yl)heptan-2-amine
CID 43749203
3-(3-Pyrazol-1-ylpropylamino)cyclohexane-1-carbonitrile
CID 86793807
(2S)-N-[(4-propylcyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 97098143
N-(cyclohex-3-en-1-ylmethyl)-4-pyrazol-1-ylbutan-2-amine
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N-pentyl-5-pyrazol-1-yl-2-(trifluoromethyl)pentan-1-amine
CID 70435081
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CID 64176976

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-3-pyrazol-1-ylpropan-1-amine?
The IUPAC name of N-(dicyclopropylmethyl)-3-pyrazol-1-ylpropan-1-amine (CID 115708587) is N-(dicyclopropylmethyl)-3-pyrazol-1-ylpropan-1-amine.
What is the SMILES notation for N-(dicyclopropylmethyl)-3-pyrazol-1-ylpropan-1-amine?
The canonical SMILES for N-(dicyclopropylmethyl)-3-pyrazol-1-ylpropan-1-amine is c1cnn(CCCNC(C2CC2)C2CC2)c1.
What is the InChIKey of N-(dicyclopropylmethyl)-3-pyrazol-1-ylpropan-1-amine?
The InChIKey is JJRUOAMWVBZJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1(9-16-10-2-8-15-16)7-14-13(11-3-4-11)12-5-6-12/h2,8,10-14H,1,3-7,9H2.
What are the key properties of N-(dicyclopropylmethyl)-3-pyrazol-1-ylpropan-1-amine?
N-(dicyclopropylmethyl)-3-pyrazol-1-ylpropan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-3-pyrazol-1-ylpropan-1-amine is sourced from PubChem (CID 115708587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).