1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-propan-2-ylbutane-1,3-diamine

C13H25N5 — CID 165483224

IUPAC1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-propan-2-ylbutane-1,3-diamine
SMILESCC(C)C(CNc1ccnn1C1CNC1)C(C)N
InChIInChI=1S/C13H25N5/c1-9(2)12(10(3)14)8-16-13-4-5-17-18(13)11-6-15-7-11/h4-5,9-12,15-16H,6-8,14H2,1-3H3
InChIKeyVIMDRCDIWODUIC-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.06
Rot. Bonds6

About 1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-propan-2-ylbutane-1,3-diamine

1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-propan-2-ylbutane-1,3-diamine (PubChem CID 165483224) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-propan-2-ylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-propan-2-ylbutane-1,3-diamine
PubChem CID165483224
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-propan-2-ylbutane-1,3-diamine
SMILESCC(C)C(CNc1ccnn1C1CNC1)C(C)N
InChIInChI=1S/C13H25N5/c1-9(2)12(10(3)14)8-16-13-4-5-17-18(13)11-6-15-7-11/h4-5,9-12,15-16H,6-8,14H2,1-3H3
InChIKeyVIMDRCDIWODUIC-UHFFFAOYSA-N
XLogP1.06
TPSA67.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-N-cyclopropylpropane-1,2-diamine
CID 165483213
(2R)-1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutane-1,2-diamine
CID 165474891
N-[(2-aminophenyl)methyl]-2-(azetidin-3-yl)pyrazol-3-amine
CID 165474893
3-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]hexanamide
CID 165484929
2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]hexanamide
CID 165484923
2-(azetidin-3-yl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]pyrazol-3-amine
CID 165484802
2-(azetidin-3-yl)-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine
CID 165474821
1-(azetidin-3-yl)-5-propan-2-ylpyrazole
CID 84764985
2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutanamide
CID 165482729
(2S)-2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-3-cyclopropylpropanamide
CID 165484852
2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]pent-4-enamide
CID 165474812
2-(azetidin-3-yl)-N-(2-morpholin-2-ylethyl)pyrazol-3-amine
CID 165484747

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-propan-2-ylbutane-1,3-diamine?
The IUPAC name of 1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-propan-2-ylbutane-1,3-diamine (CID 165483224) is 1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-propan-2-ylbutane-1,3-diamine.
What is the SMILES notation for 1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-propan-2-ylbutane-1,3-diamine?
The canonical SMILES for 1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-propan-2-ylbutane-1,3-diamine is CC(C)C(CNc1ccnn1C1CNC1)C(C)N.
What is the InChIKey of 1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-propan-2-ylbutane-1,3-diamine?
The InChIKey is VIMDRCDIWODUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-9(2)12(10(3)14)8-16-13-4-5-17-18(13)11-6-15-7-11/h4-5,9-12,15-16H,6-8,14H2,1-3H3.
What are the key properties of 1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-propan-2-ylbutane-1,3-diamine?
1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-propan-2-ylbutane-1,3-diamine has a molecular weight of 251.38 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-propan-2-ylbutane-1,3-diamine is sourced from PubChem (CID 165483224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).