(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanamine

C12H17N5O — CID 114652255

IUPAC(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanamine
SMILESCCCn1ncc(OC)c1C(N)c1ccncn1
InChIInChI=1S/C12H17N5O/c1-3-6-17-12(10(18-2)7-16-17)11(13)9-4-5-14-8-15-9/h4-5,7-8,11H,3,6,13H2,1-2H3
InChIKeyORBPZJARLVYJBP-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.14
Rot. Bonds5

About (4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanamine

(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanamine (PubChem CID 114652255) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is (4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanamine.

Molecular Properties

Compound Name(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanamine
PubChem CID114652255
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanamine
SMILESCCCn1ncc(OC)c1C(N)c1ccncn1
InChIInChI=1S/C12H17N5O/c1-3-6-17-12(10(18-2)7-16-17)11(13)9-4-5-14-8-15-9/h4-5,7-8,11H,3,6,13H2,1-2H3
InChIKeyORBPZJARLVYJBP-UHFFFAOYSA-N
XLogP1.14
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethyl]ethanamine
CID 114652303
(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine
CID 114877837
(4-methoxy-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methanamine
CID 105187158
(2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114659698
3-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114648518
(3-propyltriazol-4-yl)-pyrimidin-4-ylmethanamine
CID 114687777
(3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048688
(4-methoxy-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanamine
CID 105187163
(5-bromo-3-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114658293
(1-propylpyrazol-4-yl)-pyrimidin-4-ylmethanamine
CID 63988738
(4-chloro-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanol
CID 114635773
[(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105279840

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanamine?
The IUPAC name of (4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanamine (CID 114652255) is (4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanamine.
What is the SMILES notation for (4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanamine?
The canonical SMILES for (4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanamine is CCCn1ncc(OC)c1C(N)c1ccncn1.
What is the InChIKey of (4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanamine?
The InChIKey is ORBPZJARLVYJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-6-17-12(10(18-2)7-16-17)11(13)9-4-5-14-8-15-9/h4-5,7-8,11H,3,6,13H2,1-2H3.
What are the key properties of (4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanamine?
(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanamine has a molecular weight of 247.30 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanamine is sourced from PubChem (CID 114652255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).