N-[(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethyl]ethanamine

C14H21N5O — CID 114652303

IUPACN-[(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethyl]ethanamine
SMILESCCCn1ncc(OC)c1C(NCC)c1ccncn1
InChIInChI=1S/C14H21N5O/c1-4-8-19-14(12(20-3)9-18-19)13(16-5-2)11-6-7-15-10-17-11/h6-7,9-10,13,16H,4-5,8H2,1-3H3
InChIKeyARDMORFUAQKKNZ-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.79
Rot. Bonds7

About N-[(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethyl]ethanamine

N-[(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethyl]ethanamine (PubChem CID 114652303) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethyl]ethanamine
PubChem CID114652303
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-[(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethyl]ethanamine
SMILESCCCn1ncc(OC)c1C(NCC)c1ccncn1
InChIInChI=1S/C14H21N5O/c1-4-8-19-14(12(20-3)9-18-19)13(16-5-2)11-6-7-15-10-17-11/h6-7,9-10,13,16H,4-5,8H2,1-3H3
InChIKeyARDMORFUAQKKNZ-UHFFFAOYSA-N
XLogP1.79
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanamine
CID 114652255
N-[(4-methoxy-1-propylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 105187101
N-[(4-methoxy-1-propylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 114660721
[(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105279840
N-[(3-bromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105048861
[(4-methoxy-1-propylpyrazol-5-yl)-(2-methylpyrimidin-4-yl)methyl]hydrazine
CID 105260511
N-[(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 114658755
N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105048857
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 114651811
N-[(2,5-dichlorothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine
CID 107969232
1-(3-bromo-2-pyridinyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114660556
N-ethyl-2-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114657709

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethyl]ethanamine?
The IUPAC name of N-[(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethyl]ethanamine (CID 114652303) is N-[(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethyl]ethanamine is CCCn1ncc(OC)c1C(NCC)c1ccncn1.
What is the InChIKey of N-[(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethyl]ethanamine?
The InChIKey is ARDMORFUAQKKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-4-8-19-14(12(20-3)9-18-19)13(16-5-2)11-6-7-15-10-17-11/h6-7,9-10,13,16H,4-5,8H2,1-3H3.
What are the key properties of N-[(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethyl]ethanamine?
N-[(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethyl]ethanamine has a molecular weight of 275.36 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethyl]ethanamine is sourced from PubChem (CID 114652303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).