N-[(2-ethylpyrazol-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine

C13H19N5 — CID 102923434

IUPACN-[(2-ethylpyrazol-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cncnc1)c1ccnn1CC
InChIInChI=1S/C13H19N5/c1-3-6-16-13(11-8-14-10-15-9-11)12-5-7-17-18(12)4-2/h5,7-10,13,16H,3-4,6H2,1-2H3
InChIKeyKKJBGUHMMTWUJX-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.78
Rot. Bonds6

About N-[(2-ethylpyrazol-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine

N-[(2-ethylpyrazol-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine (PubChem CID 102923434) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
PubChem CID102923434
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[(2-ethylpyrazol-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cncnc1)c1ccnn1CC
InChIInChI=1S/C13H19N5/c1-3-6-16-13(11-8-14-10-15-9-11)12-5-7-17-18(12)4-2/h5,7-10,13,16H,3-4,6H2,1-2H3
InChIKeyKKJBGUHMMTWUJX-UHFFFAOYSA-N
XLogP1.78
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethylpyrazol-3-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 63976367
N-[(2-ethylpyrazol-3-yl)-phenylmethyl]propan-1-amine
CID 63976584
N-[(2-ethylpyrazol-3-yl)-(4-iodophenyl)methyl]propan-1-amine
CID 115858269
N-[pyridin-4-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 62491202
N-[(2,6-dichlorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 115857934
N-[(4-chlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 62489847
N-[(2-ethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63976818
N-[(2,5-dibromophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 115857989
N-[(4-propylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923416
N-[(3-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 64713123
N-[(2-ethylpyrazol-3-yl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105148511
N-[(3-chloro-4-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 63087158

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine (CID 102923434) is N-[(2-ethylpyrazol-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine is CCCNC(c1cncnc1)c1ccnn1CC.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine?
The InChIKey is KKJBGUHMMTWUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-6-16-13(11-8-14-10-15-9-11)12-5-7-17-18(12)4-2/h5,7-10,13,16H,3-4,6H2,1-2H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine?
N-[(2-ethylpyrazol-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine is sourced from PubChem (CID 102923434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).