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

C12H21N5 — CID 165483213

IUPAC1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-N-cyclopropylpropane-1,2-diamine
SMILESCC(CNc1ccnn1C1CNC1)NC1CC1
InChIInChI=1S/C12H21N5/c1-9(16-10-2-3-10)6-14-12-4-5-15-17(12)11-7-13-8-11/h4-5,9-11,13-14,16H,2-3,6-8H2,1H3
InChIKeyVQWXRBPBMYPRJU-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.58
Rot. Bonds6

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

1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-N-cyclopropylpropane-1,2-diamine (PubChem CID 165483213) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-N-cyclopropylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-N-cyclopropylpropane-1,2-diamine
PubChem CID165483213
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-N-cyclopropylpropane-1,2-diamine
SMILESCC(CNc1ccnn1C1CNC1)NC1CC1
InChIInChI=1S/C12H21N5/c1-9(16-10-2-3-10)6-14-12-4-5-15-17(12)11-7-13-8-11/h4-5,9-11,13-14,16H,2-3,6-8H2,1H3
InChIKeyVQWXRBPBMYPRJU-UHFFFAOYSA-N
XLogP0.58
TPSA53.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-propan-2-ylbutane-1,3-diamine
CID 165483224
(2R)-1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutane-1,2-diamine
CID 165474891
2-(azetidin-3-yl)-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine
CID 165474821
1-[2-(azetidin-3-yl)pyrazol-3-yl]-3-(1-methoxypropan-2-yl)thiourea
CID 165474040
2-(azetidin-3-yl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]pyrazol-3-amine
CID 165484802
N-[(2-aminophenyl)methyl]-2-(azetidin-3-yl)pyrazol-3-amine
CID 165474893
1-(azetidin-3-yl)-5-propan-2-ylpyrazole
CID 84764985
N-(2-azabicyclo[4.1.0]heptan-1-ylmethyl)-2-(azetidin-3-yl)pyrazol-3-amine
CID 165474174
2-(azetidin-3-yl)-N-(2-morpholin-2-ylethyl)pyrazol-3-amine
CID 165484747
1-(azetidin-3-yl)-5-methylpyrazole
CID 84731114
2-cyclopentyl-N-propan-2-ylpyrazol-3-amine
CID 130683846
(2S)-2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-3-cyclopropylpropanamide
CID 165484852

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-N-cyclopropylpropane-1,2-diamine?
The IUPAC name of 1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-N-cyclopropylpropane-1,2-diamine (CID 165483213) is 1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-N-cyclopropylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-N-cyclopropylpropane-1,2-diamine?
The canonical SMILES for 1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-N-cyclopropylpropane-1,2-diamine is CC(CNc1ccnn1C1CNC1)NC1CC1.
What is the InChIKey of 1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-N-cyclopropylpropane-1,2-diamine?
The InChIKey is VQWXRBPBMYPRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-9(16-10-2-3-10)6-14-12-4-5-15-17(12)11-7-13-8-11/h4-5,9-11,13-14,16H,2-3,6-8H2,1H3.
What are the key properties of 1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-N-cyclopropylpropane-1,2-diamine?
1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-N-cyclopropylpropane-1,2-diamine has a molecular weight of 235.33 g/mol, XLogP of 0.58, 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-N-cyclopropylpropane-1,2-diamine is sourced from PubChem (CID 165483213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).