(2-methyloxan-2-yl)-(2-propylpyrazol-3-yl)methanamine

C13H23N3O — CID 80683782

IUPAC(2-methyloxan-2-yl)-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)C1(C)CCCCO1
InChIInChI=1S/C13H23N3O/c1-3-9-16-11(6-8-15-16)12(14)13(2)7-4-5-10-17-13/h6,8,12H,3-5,7,9-10,14H2,1-2H3
InChIKeyFICVBZZBICRWMS-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.25
Rot. Bonds4

About (2-methyloxan-2-yl)-(2-propylpyrazol-3-yl)methanamine

(2-methyloxan-2-yl)-(2-propylpyrazol-3-yl)methanamine (PubChem CID 80683782) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (2-methyloxan-2-yl)-(2-propylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(2-methyloxan-2-yl)-(2-propylpyrazol-3-yl)methanamine
PubChem CID80683782
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(2-methyloxan-2-yl)-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)C1(C)CCCCO1
InChIInChI=1S/C13H23N3O/c1-3-9-16-11(6-8-15-16)12(14)13(2)7-4-5-10-17-13/h6,8,12H,3-5,7,9-10,14H2,1-2H3
InChIKeyFICVBZZBICRWMS-UHFFFAOYSA-N
XLogP2.25
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyloxolan-2-yl)-(3-propyltriazol-4-yl)methanamine
CID 114688647
N-[(2-ethylpyrazol-3-yl)-(2-methyloxan-2-yl)methyl]propan-1-amine
CID 80684949
(1-phenylcyclopropyl)-(2-propylpyrazol-3-yl)methanamine
CID 63976828
[(1-methylcyclopropyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105253298
(1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanol
CID 116753279
2,2-dimethyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975935
N-[(2,2-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 107188801
N-[(2,2-dimethylcyclopentyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 107188792
1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 107188799
1-(1-methoxycyclopentyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 104610857
(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methanamine
CID 115858366
1-(2-propylpyrazol-3-yl)hexan-1-amine
CID 115857677

Frequently Asked Questions

What is the IUPAC name of (2-methyloxan-2-yl)-(2-propylpyrazol-3-yl)methanamine?
The IUPAC name of (2-methyloxan-2-yl)-(2-propylpyrazol-3-yl)methanamine (CID 80683782) is (2-methyloxan-2-yl)-(2-propylpyrazol-3-yl)methanamine.
What is the SMILES notation for (2-methyloxan-2-yl)-(2-propylpyrazol-3-yl)methanamine?
The canonical SMILES for (2-methyloxan-2-yl)-(2-propylpyrazol-3-yl)methanamine is CCCn1nccc1C(N)C1(C)CCCCO1.
What is the InChIKey of (2-methyloxan-2-yl)-(2-propylpyrazol-3-yl)methanamine?
The InChIKey is FICVBZZBICRWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-9-16-11(6-8-15-16)12(14)13(2)7-4-5-10-17-13/h6,8,12H,3-5,7,9-10,14H2,1-2H3.
What are the key properties of (2-methyloxan-2-yl)-(2-propylpyrazol-3-yl)methanamine?
(2-methyloxan-2-yl)-(2-propylpyrazol-3-yl)methanamine has a molecular weight of 237.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxan-2-yl)-(2-propylpyrazol-3-yl)methanamine is sourced from PubChem (CID 80683782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).