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

C11H15N5 — CID 63988738

IUPAC(1-propylpyrazol-4-yl)-pyrimidin-4-ylmethanamine
SMILESCCCn1cc(C(N)c2ccncn2)cn1
InChIInChI=1S/C11H15N5/c1-2-5-16-7-9(6-15-16)11(12)10-3-4-13-8-14-10/h3-4,6-8,11H,2,5,12H2,1H3
InChIKeyVDSDMFLJAZDPGV-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.13
Rot. Bonds4

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

(1-propylpyrazol-4-yl)-pyrimidin-4-ylmethanamine (PubChem CID 63988738) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is (1-propylpyrazol-4-yl)-pyrimidin-4-ylmethanamine.

Molecular Properties

Compound Name(1-propylpyrazol-4-yl)-pyrimidin-4-ylmethanamine
PubChem CID63988738
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name(1-propylpyrazol-4-yl)-pyrimidin-4-ylmethanamine
SMILESCCCn1cc(C(N)c2ccncn2)cn1
InChIInChI=1S/C11H15N5/c1-2-5-16-7-9(6-15-16)11(12)10-3-4-13-8-14-10/h3-4,6-8,11H,2,5,12H2,1H3
InChIKeyVDSDMFLJAZDPGV-UHFFFAOYSA-N
XLogP1.13
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-propyltriazol-4-yl)-pyrimidin-4-ylmethanamine
CID 114687777
(3-bromo-2-pyridinyl)-(1-propylpyrazol-4-yl)methanamine
CID 113398477
(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanamine
CID 114652255
isoquinolin-1-yl-(1-propylpyrazol-4-yl)methanamine
CID 63950472
4-[amino-(1-propylpyrazol-4-yl)methyl]-N,N-dimethylaniline
CID 105103926
[(1-propylpyrazol-4-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196444
2-(1-ethylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine
CID 63989978
2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine
CID 63989977
(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115807748
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 115807994
(2-methylfuran-3-yl)-(1-propylpyrazol-4-yl)methanamine
CID 104789813
(1-propylpyrazol-4-yl)-(2,4,6-trifluorophenyl)methanamine
CID 115808100

Frequently Asked Questions

What is the IUPAC name of (1-propylpyrazol-4-yl)-pyrimidin-4-ylmethanamine?
The IUPAC name of (1-propylpyrazol-4-yl)-pyrimidin-4-ylmethanamine (CID 63988738) is (1-propylpyrazol-4-yl)-pyrimidin-4-ylmethanamine.
What is the SMILES notation for (1-propylpyrazol-4-yl)-pyrimidin-4-ylmethanamine?
The canonical SMILES for (1-propylpyrazol-4-yl)-pyrimidin-4-ylmethanamine is CCCn1cc(C(N)c2ccncn2)cn1.
What is the InChIKey of (1-propylpyrazol-4-yl)-pyrimidin-4-ylmethanamine?
The InChIKey is VDSDMFLJAZDPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-2-5-16-7-9(6-15-16)11(12)10-3-4-13-8-14-10/h3-4,6-8,11H,2,5,12H2,1H3.
What are the key properties of (1-propylpyrazol-4-yl)-pyrimidin-4-ylmethanamine?
(1-propylpyrazol-4-yl)-pyrimidin-4-ylmethanamine has a molecular weight of 217.28 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylpyrazol-4-yl)-pyrimidin-4-ylmethanamine is sourced from PubChem (CID 63988738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).