N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-propylazetidin-3-amine

C14H26N4 — CID 66213681

IUPACN-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-propylazetidin-3-amine
SMILESCCCN(Cc1ccn(C(C)CC)n1)C1CNC1
InChIInChI=1S/C14H26N4/c1-4-7-17(14-9-15-10-14)11-13-6-8-18(16-13)12(3)5-2/h6,8,12,14-15H,4-5,7,9-11H2,1-3H3
InChIKeyCWDDDFWDYRATDV-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.04
Rot. Bonds7

About N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-propylazetidin-3-amine

N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-propylazetidin-3-amine (PubChem CID 66213681) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-propylazetidin-3-amine.

Molecular Properties

Compound NameN-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-propylazetidin-3-amine
PubChem CID66213681
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-propylazetidin-3-amine
SMILESCCCN(Cc1ccn(C(C)CC)n1)C1CNC1
InChIInChI=1S/C14H26N4/c1-4-7-17(14-9-15-10-14)11-13-6-8-18(16-13)12(3)5-2/h6,8,12,14-15H,4-5,7,9-11H2,1-3H3
InChIKeyCWDDDFWDYRATDV-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(3-chloropropyl)cyclobutanamine
CID 102860421
N-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 64771331
2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]acetonitrile
CID 64801478
2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]ethanol
CID 64777688
4-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122208
2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methyl-2-N-propylpropane-1,2-diamine
CID 64800225
1-butan-2-yl-3-(pyrrolidin-3-yloxymethyl)pyrazole
CID 64785935
4-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine
CID 79116958
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616724
N'-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 64783778
3-[cyclopropyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]propanoic acid
CID 64783639
3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-4-methylpiperidine
CID 102954086

Frequently Asked Questions

What is the IUPAC name of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-propylazetidin-3-amine?
The IUPAC name of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-propylazetidin-3-amine (CID 66213681) is N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-propylazetidin-3-amine.
What is the SMILES notation for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-propylazetidin-3-amine?
The canonical SMILES for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-propylazetidin-3-amine is CCCN(Cc1ccn(C(C)CC)n1)C1CNC1.
What is the InChIKey of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-propylazetidin-3-amine?
The InChIKey is CWDDDFWDYRATDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-7-17(14-9-15-10-14)11-13-6-8-18(16-13)12(3)5-2/h6,8,12,14-15H,4-5,7,9-11H2,1-3H3.
What are the key properties of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-propylazetidin-3-amine?
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-propylazetidin-3-amine has a molecular weight of 250.39 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-propylazetidin-3-amine is sourced from PubChem (CID 66213681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).